2-[2-[(3-chlorophenyl)-methylsulfonyl-amino]butanoylamino]-N-phenethyl-benzamide

Systemtic Name: 2-[2-[(3-chlorophenyl)-methylsulfonyl-amino]butanoylamino]-N-phenethyl-benzamide Openeye Name: 2-[2-(3-chloro-N-methylsulfonyl-anilino)butanoylamino]-N-phenethyl-benzamide CAS Name: 2-[[2-(3-chloro-N-methylsulfonylanilino)-1-oxobutyl]amino]-N-phenethylbenzamide IUPAC Name: 2-[2-(3-chloro-N-methylsulfonylanilino)butanoylamino]-N-phenethylbenzamide Traditional Name: 2-[2-(3-chloro-N-mesyl-anilino)butanoylamino]-N-phenethyl-benzamide Formula: C26H28ClN3O4S MolecularWeight: 514.03622

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C(=O)NCCC2=CC=CC=C2)N(C3=CC(=CC=C3)Cl)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(=O)NCCC2=CC=CC=C2)N(C3=CC(=CC=C3)Cl)S(=O)(=O)C

InChI

InChI=1S/C26H28ClN3O4S/c1-3-24(30(35(2,33)34)21-13-9-12-20(27)18-21)26(32)29-23-15-8-7-14-22(23)25(31)28-17-16-19-10-5-4-6-11-19/h4-15,18,24H,3,16-17H2,1-2H3,(H,28,31)(H,29,32)