[2-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-methylphenyl)carbonylamino]ethanoate

Systemtic Name: [2-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-methylphenyl)carbonylamino]ethanoate Openeye Name: [2-(2-chloro-5-pyrrolidin-1-ylsulfonyl-anilino)-2-oxo-ethyl] 2-[(4-methylbenzoyl)amino]acetate CAS Name: 2-[[(4-methylphenyl)-oxomethyl]amino]acetic acid [2-[2-chloro-5-(1-pyrrolidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate Traditional Name: 2-(p-toluoylamino)acetic acid [2-(2-chloro-5-pyrrolidinosulfonyl-anilino)-2-keto-ethyl] ester Formula: C22H24ClN3O6S MolecularWeight: 493.96046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

InChI

InChI=1S/C22H24ClN3O6S/c1-15-4-6-16(7-5-15)22(29)24-13-21(28)32-14-20(27)25-19-12-17(8-9-18(19)23)33(30,31)26-10-2-3-11-26/h4-9,12H,2-3,10-11,13-14H2,1H3,(H,24,29)(H,25,27)