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

Systemtic Name: 2-[2-[(3-chlorophenyl)-methylsulfonyl-amino]butanoylamino]-N-propyl-benzamide Openeye Name: 2-[2-(3-chloro-N-methylsulfonyl-anilino)butanoylamino]-N-propyl-benzamide CAS Name: 2-[[2-(3-chloro-N-methylsulfonylanilino)-1-oxobutyl]amino]-N-propylbenzamide IUPAC Name: 2-[2-(3-chloro-N-methylsulfonylanilino)butanoylamino]-N-propylbenzamide Traditional Name: 2-[2-(3-chloro-N-mesyl-anilino)butanoylamino]-N-propyl-benzamide Formula: C21H26ClN3O4S MolecularWeight: 451.96684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O4S/c1-4-13-23-20(26)17-11-6-7-12-18(17)24-21(27)19(5-2)25(30(3,28)29)16-10-8-9-15(22)14-16/h6-12,14,19H,4-5,13H2,1-3H3,(H,23,26)(H,24,27)