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

Systemtic Name: [2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(phenylsulfonyl)propanoate Openeye Name: [2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl] 3-(benzenesulfonyl)propanoate CAS Name: 3-(benzenesulfonyl)propanoic acid [2-(3-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-2-methylanilino)-2-oxoethyl] 3-(benzenesulfonyl)propanoate Traditional Name: 3-besylpropionic acid [2-(3-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C18H18ClNO5S MolecularWeight: 395.85722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)COC(=O)CCS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)COC(=O)CCS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H18ClNO5S/c1-13-15(19)8-5-9-16(13)20-17(21)12-25-18(22)10-11-26(23,24)14-6-3-2-4-7-14/h2-9H,10-12H2,1H3,(H,20,21)