(3S)-1-(4-methoxyphenyl)sulfonyl-N-(4-methylpiperazin-4-ium-1-yl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-methoxyphenyl)sulfonyl-N-(4-methylpiperazin-4-ium-1-yl)piperidine-3-carboxamide Openeye Name: (3S)-1-(4-methoxyphenyl)sulfonyl-N-(4-methylpiperazin-4-ium-1-yl)piperidine-3-carboxamide CAS Name: (3S)-1-(4-methoxyphenyl)sulfonyl-N-(4-methyl-1-piperazin-4-iumyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-methoxyphenyl)sulfonyl-N-(4-methylpiperazin-4-ium-1-yl)piperidine-3-carboxamide Traditional Name: (3S)-1-(4-methoxyphenyl)sulfonyl-N-(4-methylpiperazin-4-ium-1-yl)nipecotamide Formula: C18H29N4O4S+ MolecularWeight: 397.51226

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H28N4O4S/c1-20-10-12-21(13-11-20)19-18(23)15-4-3-9-22(14-15)27(24,25)17-7-5-16(26-2)6-8-17/h5-8,15H,3-4,9-14H2,1-2H3,(H,19,23)/p+1/t15-/m0/s1