N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]-3-pyrrolidinosulfonyl-benzamide Formula: C24H32N3O3S+ MolecularWeight: 442.59418

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C24H31N3O3S/c28-24(20-11-8-12-23(17-20)31(29,30)27-15-6-7-16-27)25-18-21-9-2-3-10-22(21)19-26-13-4-1-5-14-26/h2-3,8-12,17H,1,4-7,13-16,18-19H2,(H,25,28)/p+1