3-[(4-methylphenyl)sulfonylamino]-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-[(4-methylphenyl)sulfonylamino]-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(p-tolylsulfonylamino)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-[(4-methylphenyl)sulfonylamino]-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-[(4-methylphenyl)sulfonylamino]-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-3-(tosylamino)propionamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

InChI

InChI=1S/C22H29N3O3S/c1-18-8-10-21(11-9-18)29(27,28)24-13-12-22(26)23-16-19-6-2-3-7-20(19)17-25-14-4-5-15-25/h2-3,6-11,24H,4-5,12-17H2,1H3,(H,23,26)/p+1