2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]ethanamide

Systemtic Name: 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]ethanamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(2-cyanophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C24H31N5O3S+2 MolecularWeight: 469.59964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)CC4=CC=CC=C4

InChI

InChI=1S/C24H29N5O3S/c25-16-21-8-4-5-9-23(21)33(31,32)29-14-12-27(13-15-29)19-24(30)26-22-10-11-28(18-22)17-20-6-2-1-3-7-20/h1-9,22H,10-15,17-19H2,(H,26,30)/p+2/t22-/m0/s1