1-(4-methylphenyl)sulfonyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]piperidine-4-carboxamide Openeye Name: 1-(p-tolylsulfonyl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]piperidine-4-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]piperidine-4-carboxamide Traditional Name: N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]-1-tosyl-isonipecotamide Formula: C23H32N3O3S2+ MolecularWeight: 462.64848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC(C3=CC=CS3)[NH+]4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCCC4

InChI

InChI=1S/C23H31N3O3S2/c1-18-6-8-20(9-7-18)31(28,29)26-14-10-19(11-15-26)23(27)24-17-21(22-5-4-16-30-22)25-12-2-3-13-25/h4-9,16,19,21H,2-3,10-15,17H2,1H3,(H,24,27)/p+1/t21-/m0/s1