2-[4-[(4-methylphenyl)-methylsulfonyl-amino]butanoylamino]-N-[(1R)-1-phenylethyl]benzamide

Systemtic Name: 2-[4-[(4-methylphenyl)-methylsulfonyl-amino]butanoylamino]-N-[(1R)-1-phenylethyl]benzamide Openeye Name: 2-[4-(4-methyl-N-methylsulfonyl-anilino)butanoylamino]-N-[(1R)-1-phenylethyl]benzamide CAS Name: 2-[[4-(4-methyl-N-methylsulfonylanilino)-1-oxobutyl]amino]-N-[(1R)-1-phenylethyl]benzamide IUPAC Name: 2-[4-(4-methyl-N-methylsulfonylanilino)butanoylamino]-N-[(1R)-1-phenylethyl]benzamide Traditional Name: 2-[4-(N-mesyl-4-methyl-anilino)butanoylamino]-N-[(1R)-1-phenylethyl]benzamide Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)N(CCCC(=O)NC2=CC=CC=C2C(=O)N[C@H](C)C3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C27H31N3O4S/c1-20-15-17-23(18-16-20)30(35(3,33)34)19-9-14-26(31)29-25-13-8-7-12-24(25)27(32)28-21(2)22-10-5-4-6-11-22/h4-8,10-13,15-18,21H,9,14,19H2,1-3H3,(H,28,32)(H,29,31)/t21-/m1/s1