N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide

Systemtic Name: N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide Openeye Name: N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]indane-5-sulfonamide CAS Name: N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide IUPAC Name: N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide Traditional Name: N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]indane-5-sulfonamide Formula: C21H27N2O2S+ MolecularWeight: 371.51628

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNS(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNS(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C21H26N2O2S/c24-26(25,21-11-10-19-4-3-5-20(19)14-21)22-15-17-6-8-18(9-7-17)16-23-12-1-2-13-23/h6-11,14,22H,1-5,12-13,15-16H2/p+1