1-naphthalen-2-ylsulfonyl-N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]piperidine-4-carboxamide

Systemtic Name: 1-naphthalen-2-ylsulfonyl-N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]piperidine-4-carboxamide Openeye Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-1-(2-naphthylsulfonyl)piperidine-4-carboxamide CAS Name: 1-(2-naphthalenylsulfonyl)-N-[(3R)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-1-(2-naphthylsulfonyl)isonipecotamide Formula: C27H32N3O3S+ MolecularWeight: 478.62628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](C[C@@H]1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)CC5=CC=CC=C5

InChI

InChI=1S/C27H31N3O3S/c31-27(28-25-14-15-29(20-25)19-21-6-2-1-3-7-21)23-12-16-30(17-13-23)34(32,33)26-11-10-22-8-4-5-9-24(22)18-26/h1-11,18,23,25H,12-17,19-20H2,(H,28,31)/p+1/t25-/m1/s1