(2S)-N-cyclopropyl-1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-N-cyclopropyl-1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-N-cyclopropyl-1-[2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-N-cyclopropyl-1-[2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-N-cyclopropyl-1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-N-cyclopropyl-1-[2-keto-2-[4-(2-naphthylsulfonyl)piperazino]ethyl]pyrrolidin-1-ium-2-carboxamide Formula: C24H31N4O4S+ MolecularWeight: 471.59234

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)NC5CC5

Isomeric SMILES

C1C[C@H]([NH+](C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)NC5CC5

InChI

InChI=1S/C24H30N4O4S/c29-23(17-27-11-3-6-22(27)24(30)25-20-8-9-20)26-12-14-28(15-13-26)33(31,32)21-10-7-18-4-1-2-5-19(18)16-21/h1-2,4-5,7,10,16,20,22H,3,6,8-9,11-15,17H2,(H,25,30)/p+1/t22-/m0/s1