cyclopentyl 2-azanyl-1-[[2-methoxy-4-(phenylsulfonylcarbamoyl)phenyl]methyl]indole-6-carboxylate

Systemtic Name: cyclopentyl 2-azanyl-1-[[2-methoxy-4-(phenylsulfonylcarbamoyl)phenyl]methyl]indole-6-carboxylate Openeye Name: cyclopentyl 2-amino-1-[[4-(benzenesulfonylcarbamoyl)-2-methoxy-phenyl]methyl]indole-6-carboxylate CAS Name: 2-amino-1-[[4-[benzenesulfonamido(oxo)methyl]-2-methoxyphenyl]methyl]-6-indolecarboxylic acid cyclopentyl ester IUPAC Name: cyclopentyl 2-amino-1-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]indole-6-carboxylate Traditional Name: 2-amino-1-[4-(besylcarbamoyl)-2-methoxy-benzyl]indole-6-carboxylic acid cyclopentyl ester Formula: C29H29N3O6S MolecularWeight: 547.62206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)NS(=O)(=O)C2=CC=CC=C2)CN3C(=CC4=C3C=C(C=C4)C(=O)OC5CCCC5)N

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)NS(=O)(=O)C2=CC=CC=C2)CN3C(=CC4=C3C=C(C=C4)C(=O)OC5CCCC5)N

InChI

InChI=1S/C29H29N3O6S/c1-37-26-16-20(28(33)31-39(35,36)24-9-3-2-4-10-24)12-14-22(26)18-32-25-15-21(13-11-19(25)17-27(32)30)29(34)38-23-7-5-6-8-23/h2-4,9-17,23H,5-8,18,30H2,1H3,(H,31,33)