[2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl] 4-(1H-indol-3-yl)butanoate

Systemtic Name: [2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl] 4-(1H-indol-3-yl)butanoate Openeye Name: [2-oxo-2-[3-(1-piperidylsulfonyl)anilino]ethyl] 4-(1H-indol-3-yl)butanoate CAS Name: 4-(1H-indol-3-yl)butanoic acid [2-oxo-2-[3-(1-piperidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 4-(1H-indol-3-yl)butanoate Traditional Name: 4-(1H-indol-3-yl)butyric acid [2-keto-2-(3-piperidinosulfonylanilino)ethyl] ester Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)CCCC3=CNC4=CC=CC=C43

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)CCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C25H29N3O5S/c29-24(18-33-25(30)13-6-8-19-17-26-23-12-3-2-11-22(19)23)27-20-9-7-10-21(16-20)34(31,32)28-14-4-1-5-15-28/h2-3,7,9-12,16-17,26H,1,4-6,8,13-15,18H2,(H,27,29)