2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonyl-amino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]benzamide

Systemtic Name: 2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonyl-amino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]benzamide Openeye Name: 2-[(4-chlorophenyl)methyl-(p-tolylsulfonyl)amino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]benzamide CAS Name: 2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1-methyl-4-piperidin-1-iumylidene)amino]benzamide IUPAC Name: 2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]benzamide Traditional Name: 2-[(4-chlorobenzyl)-tosyl-amino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]benzamide Formula: C27H30ClN4O3S+ MolecularWeight: 526.0701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)Cl)C3=CC=CC=C3C(=O)NN=C4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)Cl)C3=CC=CC=C3C(=O)NN=C4CC[NH+](CC4)C

InChI

InChI=1S/C27H29ClN4O3S/c1-20-7-13-24(14-8-20)36(34,35)32(19-21-9-11-22(28)12-10-21)26-6-4-3-5-25(26)27(33)30-29-23-15-17-31(2)18-16-23/h3-14H,15-19H2,1-2H3,(H,30,33)/p+1