(3S)-1-(4-chlorophenyl)sulfonyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-chlorophenyl)sulfonyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(4-chlorophenyl)sulfonyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]piperidine-3-carboxamide CAS Name: (3S)-1-(4-chlorophenyl)sulfonyl-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-chlorophenyl)sulfonyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]piperidine-3-carboxamide Traditional Name: (3S)-1-(4-chlorophenyl)sulfonyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]nipecotamide Formula: C23H30ClN4O3S+ MolecularWeight: 478.0273

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)[C@H]3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H29ClN4O3S/c1-26-13-15-27(16-14-26)21-8-6-20(7-9-21)25-23(29)18-3-2-12-28(17-18)32(30,31)22-10-4-19(24)5-11-22/h4-11,18H,2-3,12-17H2,1H3,(H,25,29)/p+1/t18-/m0/s1