[2-ethoxy-4-(4-methylpiperidin-1-yl)carbothioyl-phenyl] 4-nitrobenzenesulfonate

Systemtic Name: [2-ethoxy-4-(4-methylpiperidin-1-yl)carbothioyl-phenyl] 4-nitrobenzenesulfonate Openeye Name: [2-ethoxy-4-(4-methylpiperidine-1-carbothioyl)phenyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [2-ethoxy-4-[(4-methyl-1-piperidinyl)-sulfanylidenemethyl]phenyl] ester IUPAC Name: [2-ethoxy-4-(4-methylpiperidine-1-carbothioyl)phenyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [2-ethoxy-4-(4-methylpiperidine-1-carbothioyl)phenyl] ester Formula: C21H24N2O6S2 MolecularWeight: 464.55506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=S)N2CCC(CC2)C)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=S)N2CCC(CC2)C)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O6S2/c1-3-28-20-14-16(21(30)22-12-10-15(2)11-13-22)4-9-19(20)29-31(26,27)18-7-5-17(6-8-18)23(24)25/h4-9,14-15H,3,10-13H2,1-2H3