methyl 3-[3-(4-chlorophenyl)sulfonylpropanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[3-(4-chlorophenyl)sulfonylpropanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[3-(4-chlorophenyl)sulfonylpropanoylamino]-4-methyl-benzoate CAS Name: 3-[[3-(4-chlorophenyl)sulfonyl-1-oxopropyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[3-(4-chlorophenyl)sulfonylpropanoylamino]-4-methylbenzoate Traditional Name: 3-[3-(4-chlorophenyl)sulfonylpropanoylamino]-4-methyl-benzoic acid methyl ester Formula: C18H18ClNO5S MolecularWeight: 395.85722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H18ClNO5S/c1-12-3-4-13(18(22)25-2)11-16(12)20-17(21)9-10-26(23,24)15-7-5-14(19)6-8-15/h3-8,11H,9-10H2,1-2H3,(H,20,21)