4-(2-cyanoethanoylamino)-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide

Systemtic Name: 4-(2-cyanoethanoylamino)-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide Openeye Name: 4-[(2-cyanoacetyl)amino]-N-[[5-(1-piperidylsulfonyl)-2-thienyl]methyl]benzamide CAS Name: 4-[(2-cyano-1-oxoethyl)amino]-N-[[5-(1-piperidinylsulfonyl)-2-thiophenyl]methyl]benzamide IUPAC Name: 4-[(2-cyanoacetyl)amino]-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide Traditional Name: 4-[(2-cyanoacetyl)amino]-N-[(5-piperidinosulfonyl-2-thienyl)methyl]benzamide Formula: C20H22N4O4S2 MolecularWeight: 446.54308

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)CNC(=O)C3=CC=C(C=C3)NC(=O)CC#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)CNC(=O)C3=CC=C(C=C3)NC(=O)CC#N

InChI

InChI=1S/C20H22N4O4S2/c21-11-10-18(25)23-16-6-4-15(5-7-16)20(26)22-14-17-8-9-19(29-17)30(27,28)24-12-2-1-3-13-24/h4-9H,1-3,10,12-14H2,(H,22,26)(H,23,25)