methyl 3-[4-[(3,4-dimethylphenyl)sulfonylamino]butanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[4-[(3,4-dimethylphenyl)sulfonylamino]butanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[4-[(3,4-dimethylphenyl)sulfonylamino]butanoylamino]-4-methyl-benzoate CAS Name: 3-[[4-[(3,4-dimethylphenyl)sulfonylamino]-1-oxobutyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[4-[(3,4-dimethylphenyl)sulfonylamino]butanoylamino]-4-methylbenzoate Traditional Name: 3-[4-[(3,4-dimethylphenyl)sulfonylamino]butanoylamino]-4-methyl-benzoic acid methyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C)C

InChI

InChI=1S/C21H26N2O5S/c1-14-8-10-18(12-16(14)3)29(26,27)22-11-5-6-20(24)23-19-13-17(21(25)28-4)9-7-15(19)2/h7-10,12-13,22H,5-6,11H2,1-4H3,(H,23,24)