[2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-(2-chloro-4-nitro-anilino)-2-oxo-ethyl] 2-(1-piperidylsulfonyl)benzoate CAS Name: 2-(1-piperidinylsulfonyl)benzoic acid [2-(2-chloro-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-nitroanilino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-piperidinosulfonylbenzoic acid [2-(2-chloro-4-nitro-anilino)-2-keto-ethyl] ester Formula: C20H20ClN3O7S MolecularWeight: 481.9067

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H20ClN3O7S/c21-16-12-14(24(27)28)8-9-17(16)22-19(25)13-31-20(26)15-6-2-3-7-18(15)32(29,30)23-10-4-1-5-11-23/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,22,25)