[[2,6-dimethyl-3-[(4-methylphenyl)sulfamoyl]phenyl]amino] 2-(4-nonan-5-ylpyridin-1-ium-1-yl)ethanesulfinate

Systemtic Name: [[2,6-dimethyl-3-[(4-methylphenyl)sulfamoyl]phenyl]amino] 2-(4-nonan-5-ylpyridin-1-ium-1-yl)ethanesulfinate Openeye Name: [2,6-dimethyl-3-(p-tolylsulfamoyl)anilino] 2-[4-(1-butylpentyl)pyridin-1-ium-1-yl]ethanesulfinate CAS Name: 2-(4-nonan-5-yl-1-pyridin-1-iumyl)ethanesulfinic acid [2,6-dimethyl-3-[(4-methylphenyl)sulfamoyl]anilino] ester IUPAC Name: [2,6-dimethyl-3-[(4-methylphenyl)sulfamoyl]anilino] 2-(4-nonan-5-ylpyridin-1-ium-1-yl)ethanesulfinate Traditional Name: 2-[4-(1-butylpentyl)pyridin-1-ium-1-yl]ethanesulfinic acid [2,6-dimethyl-3-(p-tolylsulfamoyl)anilino] ester Formula: C31H44N3O4S2+ MolecularWeight: 586.82876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)C1=CC=[N+](C=C1)CCS(=O)ONC2=C(C=CC(=C2C)S(=O)(=O)NC3=CC=C(C=C3)C)C

Isomeric SMILES

CCCCC(CCCC)C1=CC=[N+](C=C1)CCS(=O)ONC2=C(C=CC(=C2C)S(=O)(=O)NC3=CC=C(C=C3)C)C

InChI

InChI=1S/C31H44N3O4S2/c1-6-8-10-27(11-9-7-2)28-18-20-34(21-19-28)22-23-39(35)38-32-31-25(4)14-17-30(26(31)5)40(36,37)33-29-15-12-24(3)13-16-29/h12-21,27,32-33H,6-11,22-23H2,1-5H3/q+1