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

Systemtic Name: 2-[2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanoylamino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-2-[2-(3,4-dimethyl-N-methylsulfonyl-anilino)butanoylamino]benzamide CAS Name: 2-[[2-(3,4-dimethyl-N-methylsulfonylanilino)-1-oxobutyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-[2-(3,4-dimethyl-N-methylsulfonylanilino)butanoylamino]benzamide Traditional Name: N-benzyl-2-[2-(N-mesyl-3,4-dimethyl-anilino)butanoylamino]benzamide Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C(=O)NCC2=CC=CC=C2)N(C3=CC(=C(C=C3)C)C)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(=O)NCC2=CC=CC=C2)N(C3=CC(=C(C=C3)C)C)S(=O)(=O)C

InChI

InChI=1S/C27H31N3O4S/c1-5-25(30(35(4,33)34)22-16-15-19(2)20(3)17-22)27(32)29-24-14-10-9-13-23(24)26(31)28-18-21-11-7-6-8-12-21/h6-17,25H,5,18H2,1-4H3,(H,28,31)(H,29,32)