[2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-1-phenyl-ethyl] 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [2-(1H-indol-3-yl)-2-keto-1-phenyl-ethyl] ester Formula: C29H28N2O5S MolecularWeight: 516.60802

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C29H28N2O5S/c32-27(25-20-30-26-13-7-6-12-24(25)26)28(21-10-4-3-5-11-21)36-29(33)22-14-16-23(17-15-22)37(34,35)31-18-8-1-2-9-19-31/h3-7,10-17,20,28,30H,1-2,8-9,18-19H2