N-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-4-(phenylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-4-(phenylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-benzyl-N-[(2S)-1-(p-tolylsulfonyl)pyrrolidin-2-yl]piperazin-4-ium-1-carboxamide CAS Name: N-[(2S)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-4-(phenylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-benzyl-N-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]piperazin-4-ium-1-carboxamide Traditional Name: 4-benzyl-N-[(2S)-1-tosylpyrrolidin-2-yl]piperazin-4-ium-1-carboxamide Formula: C23H31N4O3S+ MolecularWeight: 443.58224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2NC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2NC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H30N4O3S/c1-19-9-11-21(12-10-19)31(29,30)27-13-5-8-22(27)24-23(28)26-16-14-25(15-17-26)18-20-6-3-2-4-7-20/h2-4,6-7,9-12,22H,5,8,13-18H2,1H3,(H,24,28)/p+1/t22-/m0/s1