2-[2-[(4-methylphenyl)-methylsulfonyl-amino]butanoylamino]-N-propyl-benzamide

Systemtic Name: 2-[2-[(4-methylphenyl)-methylsulfonyl-amino]butanoylamino]-N-propyl-benzamide Openeye Name: 2-[2-(4-methyl-N-methylsulfonyl-anilino)butanoylamino]-N-propyl-benzamide CAS Name: 2-[[2-(4-methyl-N-methylsulfonylanilino)-1-oxobutyl]amino]-N-propylbenzamide IUPAC Name: 2-[2-(4-methyl-N-methylsulfonylanilino)butanoylamino]-N-propylbenzamide Traditional Name: 2-[2-(N-mesyl-4-methyl-anilino)butanoylamino]-N-propyl-benzamide Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC=CC=C1NC(=O)C(CC)N(C2=CC=C(C=C2)C)S(=O)(=O)C

Isomeric SMILES

CCCNC(=O)C1=CC=CC=C1NC(=O)C(CC)N(C2=CC=C(C=C2)C)S(=O)(=O)C

InChI

InChI=1S/C22H29N3O4S/c1-5-15-23-21(26)18-9-7-8-10-19(18)24-22(27)20(6-2)25(30(4,28)29)17-13-11-16(3)12-14-17/h7-14,20H,5-6,15H2,1-4H3,(H,23,26)(H,24,27)