2-[(4-methoxyphenyl)-(4-methyl-3-nitro-phenyl)sulfonyl-amino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]ethanamide

Systemtic Name: 2-[(4-methoxyphenyl)-(4-methyl-3-nitro-phenyl)sulfonyl-amino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]ethanamide Openeye Name: 2-(4-methoxy-N-(4-methyl-3-nitro-phenyl)sulfonyl-anilino)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide CAS Name: 2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)-N-[(1-methyl-4-piperidin-1-iumylidene)amino]acetamide IUPAC Name: 2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Traditional Name: 2-(4-methoxy-N-(4-methyl-3-nitro-phenyl)sulfonyl-anilino)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Formula: C22H28N5O6S+ MolecularWeight: 490.55262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O6S/c1-16-4-9-20(14-21(16)27(29)30)34(31,32)26(18-5-7-19(33-3)8-6-18)15-22(28)24-23-17-10-12-25(2)13-11-17/h4-9,14H,10-13,15H2,1-3H3,(H,24,28)/p+1