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

Systemtic Name: 2-[4-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanoylamino]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 2-[4-(3,4-dimethyl-N-methylsulfonyl-anilino)butanoylamino]-N-(3-pyridylmethyl)benzamide CAS Name: 2-[[4-(3,4-dimethyl-N-methylsulfonylanilino)-1-oxobutyl]amino]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 2-[4-(3,4-dimethyl-N-methylsulfonylanilino)butanoylamino]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 2-[4-(N-mesyl-3,4-dimethyl-anilino)butanoylamino]-N-(3-pyridylmethyl)benzamide Formula: C26H30N4O4S MolecularWeight: 494.6058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CCCC(=O)NC2=CC=CC=C2C(=O)NCC3=CN=CC=C3)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CCCC(=O)NC2=CC=CC=C2C(=O)NCC3=CN=CC=C3)S(=O)(=O)C)C

InChI

InChI=1S/C26H30N4O4S/c1-19-12-13-22(16-20(19)2)30(35(3,33)34)15-7-11-25(31)29-24-10-5-4-9-23(24)26(32)28-18-21-8-6-14-27-17-21/h4-6,8-10,12-14,16-17H,7,11,15,18H2,1-3H3,(H,28,32)(H,29,31)