(2-ethoxy-4-piperidin-1-ylcarbothioyl-phenyl) 4-acetamidobenzenesulfonate

Systemtic Name: (2-ethoxy-4-piperidin-1-ylcarbothioyl-phenyl) 4-acetamidobenzenesulfonate Openeye Name: [2-ethoxy-4-(piperidine-1-carbothioyl)phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [2-ethoxy-4-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-ethoxy-4-(piperidine-1-carbothioyl)phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [2-ethoxy-4-(piperidine-1-carbothioyl)phenyl] ester Formula: C22H26N2O5S2 MolecularWeight: 462.58224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=S)N2CCCCC2)OS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=S)N2CCCCC2)OS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C22H26N2O5S2/c1-3-28-21-15-17(22(30)24-13-5-4-6-14-24)7-12-20(21)29-31(26,27)19-10-8-18(9-11-19)23-16(2)25/h7-12,15H,3-6,13-14H2,1-2H3,(H,23,25)