[1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-(4-carbamoylanilino)-1-methyl-2-oxo-ethyl] 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [1-(4-carbamoylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid [2-(4-carbamoylanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H25N3O6S MolecularWeight: 459.5154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H25N3O6S/c1-15(21(27)24-18-10-8-16(9-11-18)20(23)26)31-22(28)17-6-5-7-19(14-17)32(29,30)25-12-3-2-4-13-25/h5-11,14-15H,2-4,12-13H2,1H3,(H2,23,26)(H,24,27)