5-(azepan-1-ylsulfonyl)-1-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]indole-2,3-dione

Systemtic Name: 5-(azepan-1-ylsulfonyl)-1-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]indole-2,3-dione Openeye Name: 5-(azepan-1-ylsulfonyl)-1-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]indoline-2,3-dione CAS Name: 5-(1-azepanylsulfonyl)-1-[[4-(2,5-dimethylphenyl)-1-piperazinyl]methyl]indole-2,3-dione IUPAC Name: 5-(azepan-1-ylsulfonyl)-1-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]indole-2,3-dione Traditional Name: 5-(azepan-1-ylsulfonyl)-1-[[4-(2,5-dimethylphenyl)piperazino]methyl]isatin Formula: C27H34N4O4S MolecularWeight: 510.64826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)CN3C4=C(C=C(C=C4)S(=O)(=O)N5CCCCCC5)C(=O)C3=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)CN3C4=C(C=C(C=C4)S(=O)(=O)N5CCCCCC5)C(=O)C3=O

InChI

InChI=1S/C27H34N4O4S/c1-20-7-8-21(2)25(17-20)29-15-13-28(14-16-29)19-31-24-10-9-22(18-23(24)26(32)27(31)33)36(34,35)30-11-5-3-4-6-12-30/h7-10,17-18H,3-6,11-16,19H2,1-2H3