5-(azepan-1-ylsulfonyl)-1-[[(phenylmethyl)-(thiophen-2-ylmethyl)amino]methyl]indole-2,3-dione

Systemtic Name: 5-(azepan-1-ylsulfonyl)-1-[[(phenylmethyl)-(thiophen-2-ylmethyl)amino]methyl]indole-2,3-dione Openeye Name: 5-(azepan-1-ylsulfonyl)-1-[[benzyl(2-thienylmethyl)amino]methyl]indoline-2,3-dione CAS Name: 5-(1-azepanylsulfonyl)-1-[[(phenylmethyl)-(thiophen-2-ylmethyl)amino]methyl]indole-2,3-dione IUPAC Name: 5-(azepan-1-ylsulfonyl)-1-[[benzyl(thiophen-2-ylmethyl)amino]methyl]indole-2,3-dione Traditional Name: 5-(azepan-1-ylsulfonyl)-1-[[benzyl(2-thenyl)amino]methyl]isatin Formula: C27H29N3O4S2 MolecularWeight: 523.66686

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=O)CN(CC4=CC=CC=C4)CC5=CC=CS5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=O)CN(CC4=CC=CC=C4)CC5=CC=CS5

InChI

InChI=1S/C27H29N3O4S2/c31-26-24-17-23(36(33,34)29-14-6-1-2-7-15-29)12-13-25(24)30(27(26)32)20-28(19-22-11-8-16-35-22)18-21-9-4-3-5-10-21/h3-5,8-13,16-17H,1-2,6-7,14-15,18-20H2