ethyl 3-[4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]butanoylamino]-4-methyl-benzoate

Systemtic Name: ethyl 3-[4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]butanoylamino]-4-methyl-benzoate Openeye Name: ethyl 3-[4-(2,5-dimethyl-N-methylsulfonyl-anilino)butanoylamino]-4-methyl-benzoate CAS Name: 3-[[4-(2,5-dimethyl-N-methylsulfonylanilino)-1-oxobutyl]amino]-4-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[4-(2,5-dimethyl-N-methylsulfonylanilino)butanoylamino]-4-methylbenzoate Traditional Name: 3-[4-(N-mesyl-2,5-dimethyl-anilino)butanoylamino]-4-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)C)NC(=O)CCCN(C2=C(C=CC(=C2)C)C)S(=O)(=O)C

Isomeric SMILES

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

InChI

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