4-[methyl-(4-methylphenyl)sulfonyl-amino]-N-[(2R)-2-pyrrolidin-1-ium-1-ylbutyl]benzamide

Systemtic Name: 4-[methyl-(4-methylphenyl)sulfonyl-amino]-N-[(2R)-2-pyrrolidin-1-ium-1-ylbutyl]benzamide Openeye Name: 4-[methyl(p-tolylsulfonyl)amino]-N-[(2R)-2-pyrrolidin-1-ium-1-ylbutyl]benzamide CAS Name: 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(2R)-2-(1-pyrrolidin-1-iumyl)butyl]benzamide IUPAC Name: 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(2R)-2-pyrrolidin-1-ium-1-ylbutyl]benzamide Traditional Name: 4-[methyl(tosyl)amino]-N-[(2R)-2-pyrrolidin-1-ium-1-ylbutyl]benzamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](CNC(=O)C1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=C(C=C2)C)[NH+]3CCCC3

InChI

InChI=1S/C23H31N3O3S/c1-4-20(26-15-5-6-16-26)17-24-23(27)19-9-11-21(12-10-19)25(3)30(28,29)22-13-7-18(2)8-14-22/h7-14,20H,4-6,15-17H2,1-3H3,(H,24,27)/p+1/t20-/m1/s1