2-[4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]butanoylamino]-N-prop-2-enyl-benzamide

Systemtic Name: 2-[4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]butanoylamino]-N-prop-2-enyl-benzamide Openeye Name: N-allyl-2-[4-(2,5-dimethyl-N-methylsulfonyl-anilino)butanoylamino]benzamide CAS Name: 2-[[4-(2,5-dimethyl-N-methylsulfonylanilino)-1-oxobutyl]amino]-N-prop-2-enylbenzamide IUPAC Name: 2-[4-(2,5-dimethyl-N-methylsulfonylanilino)butanoylamino]-N-prop-2-enylbenzamide Traditional Name: N-allyl-2-[4-(N-mesyl-2,5-dimethyl-anilino)butanoylamino]benzamide Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O4S/c1-5-14-24-23(28)19-9-6-7-10-20(19)25-22(27)11-8-15-26(31(4,29)30)21-16-17(2)12-13-18(21)3/h5-7,9-10,12-13,16H,1,8,11,14-15H2,2-4H3,(H,24,28)(H,25,27)