N-[4-(2-cyanopropan-2-yl)phenyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-[4-(2-cyanopropan-2-yl)phenyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-[4-(1-cyano-1-methyl-ethyl)phenyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-[4-(2-cyanopropan-2-yl)phenyl]-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-[4-(2-cyanopropan-2-yl)phenyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-[4-(1-cyano-1-methyl-ethyl)phenyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C22H27N4O3S+ MolecularWeight: 427.53978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)(C#N)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C22H26N4O3S/c1-22(2,16-23)18-7-9-19(10-8-18)24-21(27)17-5-4-6-20(15-17)30(28,29)26-13-11-25(3)12-14-26/h4-10,15H,11-14H2,1-3H3,(H,24,27)/p+1