[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(4-nitroanilino)-2-oxo-ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [2-(4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-nitroanilino)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [2-keto-2-(4-nitroanilino)ethyl] ester Formula: C21H23N3O7S MolecularWeight: 461.48822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCCC3

InChI

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