2-[(4-ethoxyphenyl)sulfonyl-(4-methylphenyl)amino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]ethanamide

Systemtic Name: 2-[(4-ethoxyphenyl)sulfonyl-(4-methylphenyl)amino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]ethanamide Openeye Name: 2-(N-(4-ethoxyphenyl)sulfonyl-4-methyl-anilino)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide CAS Name: 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(1-methyl-4-piperidin-1-iumylidene)amino]acetamide IUPAC Name: 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Traditional Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2-(4-methyl-N-p-phenetylsulfonyl-anilino)acetamide Formula: C23H31N4O4S+ MolecularWeight: 459.58164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NN=C2CC[NH+](CC2)C)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NN=C2CC[NH+](CC2)C)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H30N4O4S/c1-4-31-21-9-11-22(12-10-21)32(29,30)27(20-7-5-18(2)6-8-20)17-23(28)25-24-19-13-15-26(3)16-14-19/h5-12H,4,13-17H2,1-3H3,(H,25,28)/p+1