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

Systemtic Name: [1-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(3-methylphenyl)carbonylamino]ethanoate Openeye Name: [2-[2-chloro-5-(1-piperidylsulfonyl)anilino]-1-methyl-2-oxo-ethyl] 2-[(3-methylbenzoyl)amino]acetate CAS Name: 2-[[(3-methylphenyl)-oxomethyl]amino]acetic 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] 2-[(3-methylbenzoyl)amino]acetate Traditional Name: 2-(m-toluoylamino)acetic acid [2-(2-chloro-5-piperidinosulfonyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C24H28ClN3O6S MolecularWeight: 522.01362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC(=O)OC(C)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC(=O)OC(C)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

InChI

InChI=1S/C24H28ClN3O6S/c1-16-7-6-8-18(13-16)24(31)26-15-22(29)34-17(2)23(30)27-21-14-19(9-10-20(21)25)35(32,33)28-11-4-3-5-12-28/h6-10,13-14,17H,3-5,11-12,15H2,1-2H3,(H,26,31)(H,27,30)