[2-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-(2-methyl-5-morpholinosulfonyl-anilino)-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-[2-methyl-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-keto-2-(2-methyl-5-morpholinosulfonyl-anilino)ethyl] ester Formula: C20H21N3O8S MolecularWeight: 463.46104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O8S/c1-14-5-6-17(32(28,29)22-7-9-30-10-8-22)12-18(14)21-19(24)13-31-20(25)15-3-2-4-16(11-15)23(26)27/h2-6,11-12H,7-10,13H2,1H3,(H,21,24)