1-(2-aminocarbonylphenyl)sulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)piperidine-4-carboxamide

Systemtic Name: 1-(2-aminocarbonylphenyl)sulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)piperidine-4-carboxamide Openeye Name: 1-(2-carbamoylphenyl)sulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)piperidine-4-carboxamide CAS Name: 1-(2-carbamoylphenyl)sulfonyl-N-[3-(1-pyrrolidin-1-iumyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-carbamoylphenyl)sulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)piperidine-4-carboxamide Traditional Name: 1-(2-carbamoylphenyl)sulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)isonipecotamide Formula: C20H31N4O4S+ MolecularWeight: 423.54954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O4S/c21-19(25)17-6-1-2-7-18(17)29(27,28)24-14-8-16(9-15-24)20(26)22-10-5-13-23-11-3-4-12-23/h1-2,6-7,16H,3-5,8-15H2,(H2,21,25)(H,22,26)/p+1