[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(phenylsulfonylamino)propanoate

Systemtic Name: [2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(phenylsulfonylamino)propanoate Openeye Name: [2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl] 3-(benzenesulfonamido)propanoate CAS Name: 3-(benzenesulfonamido)propanoic acid [2-(3-chloro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-(benzenesulfonamido)propanoate Traditional Name: 3-(benzenesulfonamido)propionic acid [2-(3-chloro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C18H19ClN2O5S MolecularWeight: 410.87186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCNS(=O)(=O)C2=CC=CC=C2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCNS(=O)(=O)C2=CC=CC=C2)Cl

InChI

InChI=1S/C18H19ClN2O5S/c1-13-7-8-14(11-16(13)19)21-17(22)12-26-18(23)9-10-20-27(24,25)15-5-3-2-4-6-15/h2-8,11,20H,9-10,12H2,1H3,(H,21,22)