4-[(2,5-dimethylphenyl)sulfonylamino]-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C27H32N3O3S+ MolecularWeight: 478.62628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

InChI

InChI=1S/C27H31N3O3S/c1-20-5-6-21(2)26(17-20)34(32,33)29-25-13-11-24(12-14-25)27(31)28-18-22-7-9-23(10-8-22)19-30-15-3-4-16-30/h5-14,17,29H,3-4,15-16,18-19H2,1-2H3,(H,28,31)/p+1