1-(2-aminocarbonylphenyl)sulfonyl-N-(2-pyrrolidin-1-ium-1-ylethyl)piperidine-4-carboxamide

Systemtic Name: 1-(2-aminocarbonylphenyl)sulfonyl-N-(2-pyrrolidin-1-ium-1-ylethyl)piperidine-4-carboxamide Openeye Name: 1-(2-carbamoylphenyl)sulfonyl-N-(2-pyrrolidin-1-ium-1-ylethyl)piperidine-4-carboxamide CAS Name: 1-(2-carbamoylphenyl)sulfonyl-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-carbamoylphenyl)sulfonyl-N-(2-pyrrolidin-1-ium-1-ylethyl)piperidine-4-carboxamide Traditional Name: 1-(2-carbamoylphenyl)sulfonyl-N-(2-pyrrolidin-1-ium-1-ylethyl)isonipecotamide Formula: C19H29N4O4S+ MolecularWeight: 409.52296

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)N

Isomeric SMILES

C1CC[NH+](C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)N

InChI

InChI=1S/C19H28N4O4S/c20-18(24)16-5-1-2-6-17(16)28(26,27)23-12-7-15(8-13-23)19(25)21-9-14-22-10-3-4-11-22/h1-2,5-6,15H,3-4,7-14H2,(H2,20,24)(H,21,25)/p+1