[2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-[2-methyl-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-[2-methyl-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-keto-2-(2-methyl-5-piperidinosulfonyl-anilino)ethyl] ester Formula: C21H23N3O7S MolecularWeight: 461.48822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O7S/c1-15-8-9-18(32(29,30)23-10-3-2-4-11-23)13-19(15)22-20(25)14-31-21(26)16-6-5-7-17(12-16)24(27)28/h5-9,12-13H,2-4,10-11,14H2,1H3,(H,22,25)