2-[2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanoylamino]-N-(2-methoxyethyl)benzamide

Systemtic Name: 2-[2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanoylamino]-N-(2-methoxyethyl)benzamide Openeye Name: 2-[2-(3,4-dimethyl-N-methylsulfonyl-anilino)butanoylamino]-N-(2-methoxyethyl)benzamide CAS Name: 2-[[2-(3,4-dimethyl-N-methylsulfonylanilino)-1-oxobutyl]amino]-N-(2-methoxyethyl)benzamide IUPAC Name: 2-[2-(3,4-dimethyl-N-methylsulfonylanilino)butanoylamino]-N-(2-methoxyethyl)benzamide Traditional Name: 2-[2-(N-mesyl-3,4-dimethyl-anilino)butanoylamino]-N-(2-methoxyethyl)benzamide Formula: C23H31N3O5S MolecularWeight: 461.57434

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C(=O)NCCOC)N(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(=O)NCCOC)N(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

InChI

InChI=1S/C23H31N3O5S/c1-6-21(26(32(5,29)30)18-12-11-16(2)17(3)15-18)23(28)25-20-10-8-7-9-19(20)22(27)24-13-14-31-4/h7-12,15,21H,6,13-14H2,1-5H3,(H,24,27)(H,25,28)