[2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl] 2-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl] 2-nitrobenzoate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)anilino]ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-keto-2-(4-piperidinosulfonylanilino)ethyl] ester Formula: C20H21N3O7S MolecularWeight: 447.46164

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O7S/c24-19(14-30-20(25)17-6-2-3-7-18(17)23(26)27)21-15-8-10-16(11-9-15)31(28,29)22-12-4-1-5-13-22/h2-3,6-11H,1,4-5,12-14H2,(H,21,24)