1-ethylsulfonyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]piperidine-4-carboxamide

Systemtic Name: 1-ethylsulfonyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]piperidine-4-carboxamide Openeye Name: 1-ethylsulfonyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]piperidine-4-carboxamide CAS Name: 1-ethylsulfonyl-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-4-piperidinecarboxamide IUPAC Name: 1-ethylsulfonyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]piperidine-4-carboxamide Traditional Name: 1-esyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]isonipecotamide Formula: C19H31N4O5S2+ MolecularWeight: 459.60324

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C19H30N4O5S2/c1-3-29(25,26)22-10-8-16(9-11-22)19(24)20-17-4-6-18(7-5-17)30(27,28)23-14-12-21(2)13-15-23/h4-7,16H,3,8-15H2,1-2H3,(H,20,24)/p+1