2-[2-[(4-chlorophenyl)-methylsulfonyl-amino]butanoylamino]-N-prop-2-enyl-benzamide

Systemtic Name: 2-[2-[(4-chlorophenyl)-methylsulfonyl-amino]butanoylamino]-N-prop-2-enyl-benzamide Openeye Name: N-allyl-2-[2-(4-chloro-N-methylsulfonyl-anilino)butanoylamino]benzamide CAS Name: 2-[[2-(4-chloro-N-methylsulfonylanilino)-1-oxobutyl]amino]-N-prop-2-enylbenzamide IUPAC Name: 2-[2-(4-chloro-N-methylsulfonylanilino)butanoylamino]-N-prop-2-enylbenzamide Traditional Name: N-allyl-2-[2-(4-chloro-N-mesyl-anilino)butanoylamino]benzamide Formula: C21H24ClN3O4S MolecularWeight: 449.95096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O4S/c1-4-14-23-20(26)17-8-6-7-9-18(17)24-21(27)19(5-2)25(30(3,28)29)16-12-10-15(22)11-13-16/h4,6-13,19H,1,5,14H2,2-3H3,(H,23,26)(H,24,27)