3-[2-[(3-cyanophenyl)-methylsulfonyl-amino]ethanoylamino]-N-cyclopropyl-benzamide

Systemtic Name: 3-[2-[(3-cyanophenyl)-methylsulfonyl-amino]ethanoylamino]-N-cyclopropyl-benzamide Openeye Name: 3-[[2-(3-cyano-N-methylsulfonyl-anilino)acetyl]amino]-N-cyclopropyl-benzamide CAS Name: 3-[[2-(3-cyano-N-methylsulfonylanilino)-1-oxoethyl]amino]-N-cyclopropylbenzamide IUPAC Name: 3-[[2-(3-cyano-N-methylsulfonylanilino)acetyl]amino]-N-cyclopropylbenzamide Traditional Name: 3-[[2-(3-cyano-N-mesyl-anilino)acetyl]amino]-N-cyclopropyl-benzamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NC1=CC=CC(=C1)C(=O)NC2CC2)C3=CC=CC(=C3)C#N

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NC1=CC=CC(=C1)C(=O)NC2CC2)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H20N4O4S/c1-29(27,28)24(18-7-2-4-14(10-18)12-21)13-19(25)22-17-6-3-5-15(11-17)20(26)23-16-8-9-16/h2-7,10-11,16H,8-9,13H2,1H3,(H,22,25)(H,23,26)