methyl 4-methyl-3-[3-(phenylsulfonylamino)propanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[3-(phenylsulfonylamino)propanoylamino]benzoate Openeye Name: methyl 3-[3-(benzenesulfonamido)propanoylamino]-4-methyl-benzoate CAS Name: 3-[[3-(benzenesulfonamido)-1-oxopropyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[3-(benzenesulfonamido)propanoylamino]-4-methylbenzoate Traditional Name: 3-[3-(benzenesulfonamido)propanoylamino]-4-methyl-benzoic acid methyl ester Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCNS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCNS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H20N2O5S/c1-13-8-9-14(18(22)25-2)12-16(13)20-17(21)10-11-19-26(23,24)15-6-4-3-5-7-15/h3-9,12,19H,10-11H2,1-2H3,(H,20,21)