methyl 3-[(3-chlorophenyl)-(4-methylphenyl)sulfonyl-amino]propanoate

Systemtic Name: methyl 3-[(3-chlorophenyl)-(4-methylphenyl)sulfonyl-amino]propanoate Openeye Name: methyl 3-[3-chloro-N-(p-tolylsulfonyl)anilino]propanoate CAS Name: 3-(3-chloro-N-(4-methylphenyl)sulfonylanilino)propanoic acid methyl ester IUPAC Name: methyl 3-(3-chloro-N-(4-methylphenyl)sulfonylanilino)propanoate Traditional Name: 3-(3-chloro-N-tosyl-anilino)propionic acid methyl ester Formula: C17H18ClNO4S MolecularWeight: 367.84712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)OC)C2=CC(=CC=C2)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)OC)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H18ClNO4S/c1-13-6-8-16(9-7-13)24(21,22)19(11-10-17(20)23-2)15-5-3-4-14(18)12-15/h3-9,12H,10-11H2,1-2H3