methyl 2-[2-[2-(1H-indol-3-yl)ethyl-(phenylsulfonyl)amino]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[2-(1H-indol-3-yl)ethyl-(phenylsulfonyl)amino]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[benzenesulfonyl-[2-(1H-indol-3-yl)ethyl]amino]acetyl]amino]benzoate CAS Name: 2-[[2-[benzenesulfonyl-[2-(1H-indol-3-yl)ethyl]amino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[benzenesulfonyl-[2-(1H-indol-3-yl)ethyl]amino]acetyl]amino]benzoate Traditional Name: 2-[[2-[besyl-[2-(1H-indol-3-yl)ethyl]amino]acetyl]amino]benzoic acid methyl ester Formula: C26H25N3O5S MolecularWeight: 491.5588

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CN(CCC2=CNC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CN(CCC2=CNC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H25N3O5S/c1-34-26(31)22-12-6-8-14-24(22)28-25(30)18-29(35(32,33)20-9-3-2-4-10-20)16-15-19-17-27-23-13-7-5-11-21(19)23/h2-14,17,27H,15-16,18H2,1H3,(H,28,30)