N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-methylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-methylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-methylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[1-[(cyanomethylamino)-oxomethyl]cyclohexyl]-4-[(4-methyl-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-methylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-methylpiperazino)sulfonyl-benzamide Formula: C21H29N5O4S MolecularWeight: 447.55106

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3(CCCCC3)C(=O)NCC#N

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3(CCCCC3)C(=O)NCC#N

InChI

InChI=1S/C21H29N5O4S/c1-25-13-15-26(16-14-25)31(29,30)18-7-5-17(6-8-18)19(27)24-21(9-3-2-4-10-21)20(28)23-12-11-22/h5-8H,2-4,9-10,12-16H2,1H3,(H,23,28)(H,24,27)