4-[methyl-(4-methylphenyl)sulfonyl-amino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide

Systemtic Name: 4-[methyl-(4-methylphenyl)sulfonyl-amino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Openeye Name: 4-[methyl(p-tolylsulfonyl)amino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide CAS Name: 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(1-pyrrolidin-1-iumyl)propyl]benzamide IUPAC Name: 4-[methyl-(4-methylphenyl)sulfonylamino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Traditional Name: 4-[methyl(tosyl)amino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)NCCC[NH+]3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)NCCC[NH+]3CCCC3

InChI

InChI=1S/C22H29N3O3S/c1-18-6-12-21(13-7-18)29(27,28)24(2)20-10-8-19(9-11-20)22(26)23-14-5-17-25-15-3-4-16-25/h6-13H,3-5,14-17H2,1-2H3,(H,23,26)/p+1