sodium N-[4-[[1,4-dimethyl-5-(4-methylphenyl)carbothioyl-pyrrol-2-yl]methyl]phenyl]ethanesulfonamide

Systemtic Name: sodium N-[4-[[1,4-dimethyl-5-(4-methylphenyl)carbothioyl-pyrrol-2-yl]methyl]phenyl]ethanesulfonamide Openeye Name: sodium N-[4-[[1,4-dimethyl-5-(4-methylbenzenecarbothioyl)pyrrol-2-yl]methyl]phenyl]ethanesulfonamide CAS Name: sodium N-[4-[[1,4-dimethyl-5-[(4-methylphenyl)-sulfanylidenemethyl]-2-pyrrolyl]methyl]phenyl]ethanesulfonamide IUPAC Name: sodium N-[4-[[1,4-dimethyl-5-(4-methylbenzenecarbothioyl)pyrrol-2-yl]methyl]phenyl]ethanesulfonamide Traditional Name: sodium N-[4-[[1,4-dimethyl-5-(4-methylthiobenzoyl)pyrrol-2-yl]methyl]phenyl]ethanesulfonamide Formula: C23H26N2NaO2S2+ MolecularWeight: 449.58451

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1=CC=C(C=C1)CC2=CC(=C(N2C)C(=S)C3=CC=C(C=C3)C)C.[Na+]

Isomeric SMILES

CCS(=O)(=O)NC1=CC=C(C=C1)CC2=CC(=C(N2C)C(=S)C3=CC=C(C=C3)C)C.[Na+]

InChI

InChI=1S/C23H26N2O2S2.Na/c1-5-29(26,27)24-20-12-8-18(9-13-20)15-21-14-17(3)22(25(21)4)23(28)19-10-6-16(2)7-11-19;/h6-14,24H,5,15H2,1-4H3;/q;+1