[2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(3-aminophenyl)sulfonylamino]benzoate

Systemtic Name: [2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(3-aminophenyl)sulfonylamino]benzoate Openeye Name: [2-[4-methyl-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] 2-[(3-aminophenyl)sulfonylamino]benzoate CAS Name: 2-[(3-aminophenyl)sulfonylamino]benzoic acid [2-[4-methyl-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-[(3-aminophenyl)sulfonylamino]benzoate Traditional Name: 2-[(3-aminophenyl)sulfonylamino]benzoic acid [2-keto-2-(4-methyl-3-piperidinosulfonyl-anilino)ethyl] ester Formula: C27H30N4O7S2 MolecularWeight: 586.6797

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CC(=C3)N)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CC(=C3)N)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C27H30N4O7S2/c1-19-12-13-21(17-25(19)40(36,37)31-14-5-2-6-15-31)29-26(32)18-38-27(33)23-10-3-4-11-24(23)30-39(34,35)22-9-7-8-20(28)16-22/h3-4,7-13,16-17,30H,2,5-6,14-15,18,28H2,1H3,(H,29,32)