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

Systemtic Name: (3S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1-(4-methoxyphenyl)sulfonyl-nipecotamide Formula: C25H35N4O4S+ MolecularWeight: 487.6348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N4O4S/c1-3-27-15-17-28(18-16-27)22-8-6-21(7-9-22)26-25(30)20-5-4-14-29(19-20)34(31,32)24-12-10-23(33-2)11-13-24/h6-13,20H,3-5,14-19H2,1-2H3,(H,26,30)/p+1/t20-/m0/s1