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

Systemtic Name: 2-[(2-fluorophenyl)-(4-methylphenyl)sulfonyl-amino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]ethanamide Openeye Name: 2-[2-fluoro-N-(p-tolylsulfonyl)anilino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide CAS Name: 2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[(1-methyl-4-piperidin-1-iumylidene)amino]acetamide IUPAC Name: 2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Traditional Name: 2-(2-fluoro-N-tosyl-anilino)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Formula: C21H26FN4O3S+ MolecularWeight: 433.519543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NN=C2CC[NH+](CC2)C)C3=CC=CC=C3F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NN=C2CC[NH+](CC2)C)C3=CC=CC=C3F

InChI

InChI=1S/C21H25FN4O3S/c1-16-7-9-18(10-8-16)30(28,29)26(20-6-4-3-5-19(20)22)15-21(27)24-23-17-11-13-25(2)14-12-17/h3-10H,11-15H2,1-2H3,(H,24,27)/p+1