種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.06 | InChI=1S/C30H33ClN4O3S/c1-33-27-11-9-24(17-28(27)34(2)29(33)36)39(37,38)35-14-12-30(13-15-35)18-23(19-30)32-20-21-8-10-25(26(31)16-21)22-6-4-3-5-7-22/h3-11,16-17,23,32H,12-15,18-20H2,1-2H3 |
InChIKey | InChI | 1.06 | VXLVVZOFGXUTDP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)N(C)c2cc(ccc12)[S](=O)(=O)N3CCC4(CC3)CC(C4)NCc5ccc(c(Cl)c5)c6ccccc6 |
SMILES | CACTVS | 3.385 | CN1C(=O)N(C)c2cc(ccc12)[S](=O)(=O)N3CCC4(CC3)CC(C4)NCc5ccc(c(Cl)c5)c6ccccc6 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1c2ccc(cc2N(C1=O)C)S(=O)(=O)N3CCC4(CC3)CC(C4)NCc5ccc(c(c5)Cl)c6ccccc6 |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1c2ccc(cc2N(C1=O)C)S(=O)(=O)N3CCC4(CC3)CC(C4)NCc5ccc(c(c5)Cl)c6ccccc6 |