[1-[(3-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [1-[(3-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [1-methyl-2-(3-morpholinosulfonylanilino)-2-oxo-ethyl] 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid [1-[3-(4-morpholinylsulfonyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid [2-keto-1-methyl-2-(3-morpholinosulfonylanilino)ethyl] ester Formula: C26H32N4O8S MolecularWeight: 560.61928

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OC(C)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OC(C)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C26H32N4O8S/c1-18-5-4-10-28(17-18)23-9-8-20(15-24(23)30(33)34)26(32)38-19(2)25(31)27-21-6-3-7-22(16-21)39(35,36)29-11-13-37-14-12-29/h3,6-9,15-16,18-19H,4-5,10-14,17H2,1-2H3,(H,27,31)