ethyl 4-[4-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanoylamino]-3-methyl-benzoate

Systemtic Name: ethyl 4-[4-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanoylamino]-3-methyl-benzoate Openeye Name: ethyl 4-[4-(3,4-dimethyl-N-methylsulfonyl-anilino)butanoylamino]-3-methyl-benzoate CAS Name: 4-[[4-(3,4-dimethyl-N-methylsulfonylanilino)-1-oxobutyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(3,4-dimethyl-N-methylsulfonylanilino)butanoylamino]-3-methylbenzoate Traditional Name: 4-[4-(N-mesyl-3,4-dimethyl-anilino)butanoylamino]-3-methyl-benzoic acid ethyl ester Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CCCN(C2=CC(=C(C=C2)C)C)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CCCN(C2=CC(=C(C=C2)C)C)S(=O)(=O)C)C

InChI

InChI=1S/C23H30N2O5S/c1-6-30-23(27)19-10-12-21(18(4)14-19)24-22(26)8-7-13-25(31(5,28)29)20-11-9-16(2)17(3)15-20/h9-12,14-15H,6-8,13H2,1-5H3,(H,24,26)