2-[2-[(3-ethanoylphenyl)-methylsulfonyl-amino]ethanoylamino]-N-prop-2-enyl-benzamide

Systemtic Name: 2-[2-[(3-ethanoylphenyl)-methylsulfonyl-amino]ethanoylamino]-N-prop-2-enyl-benzamide Openeye Name: 2-[[2-(3-acetyl-N-methylsulfonyl-anilino)acetyl]amino]-N-allyl-benzamide CAS Name: 2-[[2-(3-acetyl-N-methylsulfonylanilino)-1-oxoethyl]amino]-N-prop-2-enylbenzamide IUPAC Name: 2-[[2-(3-acetyl-N-methylsulfonylanilino)acetyl]amino]-N-prop-2-enylbenzamide Traditional Name: 2-[[2-(3-acetyl-N-mesyl-anilino)acetyl]amino]-N-allyl-benzamide Formula: C21H23N3O5S MolecularWeight: 429.48942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5S/c1-4-12-22-21(27)18-10-5-6-11-19(18)23-20(26)14-24(30(3,28)29)17-9-7-8-16(13-17)15(2)25/h4-11,13H,1,12,14H2,2-3H3,(H,22,27)(H,23,26)