[1-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-nitrobenzoate

Systemtic Name: [1-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-nitrobenzoate Openeye Name: [2-[2-chloro-5-(1-piperidylsulfonyl)anilino]-1-methyl-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [1-[2-chloro-5-(1-piperidinylsulfonyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-5-piperidin-1-ylsulfonylanilino)-1-oxopropan-2-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(2-chloro-5-piperidinosulfonyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C21H22ClN3O7S MolecularWeight: 495.93328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22ClN3O7S/c1-14(32-21(27)15-6-5-7-16(12-15)25(28)29)20(26)23-19-13-17(8-9-18(19)22)33(30,31)24-10-3-2-4-11-24/h5-9,12-14H,2-4,10-11H2,1H3,(H,23,26)