1-(4-cyanophenyl)sulfonyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-cyanophenyl)sulfonyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]piperidine-4-carboxamide Openeye Name: 1-(4-cyanophenyl)sulfonyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]piperidine-4-carboxamide CAS Name: 1-(4-cyanophenyl)sulfonyl-N-[4-(4-ethyl-1-piperazin-4-iumyl)-3-methylphenyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-cyanophenyl)sulfonyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methylphenyl]piperidine-4-carboxamide Traditional Name: 1-(4-cyanophenyl)sulfonyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]isonipecotamide Formula: C26H34N5O3S+ MolecularWeight: 496.64486

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C26H33N5O3S/c1-3-29-14-16-30(17-15-29)25-9-6-23(18-20(25)2)28-26(32)22-10-12-31(13-11-22)35(33,34)24-7-4-21(19-27)5-8-24/h4-9,18,22H,3,10-17H2,1-2H3,(H,28,32)/p+1