2-[4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]butanoylamino]-N-(2-methoxyethyl)benzamide

Systemtic Name: 2-[4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]butanoylamino]-N-(2-methoxyethyl)benzamide Openeye Name: 2-[4-(2,5-dimethyl-N-methylsulfonyl-anilino)butanoylamino]-N-(2-methoxyethyl)benzamide CAS Name: 2-[[4-(2,5-dimethyl-N-methylsulfonylanilino)-1-oxobutyl]amino]-N-(2-methoxyethyl)benzamide IUPAC Name: 2-[4-(2,5-dimethyl-N-methylsulfonylanilino)butanoylamino]-N-(2-methoxyethyl)benzamide Traditional Name: 2-[4-(N-mesyl-2,5-dimethyl-anilino)butanoylamino]-N-(2-methoxyethyl)benzamide Formula: C23H31N3O5S MolecularWeight: 461.57434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N(CCCC(=O)NC2=CC=CC=C2C(=O)NCCOC)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N(CCCC(=O)NC2=CC=CC=C2C(=O)NCCOC)S(=O)(=O)C

InChI

InChI=1S/C23H31N3O5S/c1-17-11-12-18(2)21(16-17)26(32(4,29)30)14-7-10-22(27)25-20-9-6-5-8-19(20)23(28)24-13-15-31-3/h5-6,8-9,11-12,16H,7,10,13-15H2,1-4H3,(H,24,28)(H,25,27)