(3R)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: (3R)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: (3R)-1-(benzenesulfonyl)-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]piperidine-3-carboxamide CAS Name: (3R)-1-(benzenesulfonyl)-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-3-piperidinecarboxamide IUPAC Name: (3R)-1-(benzenesulfonyl)-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]piperidine-3-carboxamide Traditional Name: (3R)-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-1-besyl-nipecotamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC3CC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[C@H](CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)N[C@H]3CC[NH+](C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H29N3O3S/c27-23(24-21-13-15-25(18-21)16-19-8-3-1-4-9-19)20-10-7-14-26(17-20)30(28,29)22-11-5-2-6-12-22/h1-6,8-9,11-12,20-21H,7,10,13-18H2,(H,24,27)/p+1/t20-,21+/m1/s1