(4-piperidin-1-ylcarbothioylphenyl) 4-acetamidobenzenesulfonate

Systemtic Name: (4-piperidin-1-ylcarbothioylphenyl) 4-acetamidobenzenesulfonate Openeye Name: [4-(piperidine-1-carbothioyl)phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-(piperidine-1-carbothioyl)phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-(piperidine-1-carbothioyl)phenyl] ester Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=S)N3CCCCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=S)N3CCCCC3

InChI

InChI=1S/C20H22N2O4S2/c1-15(23)21-17-7-11-19(12-8-17)28(24,25)26-18-9-5-16(6-10-18)20(27)22-13-3-2-4-14-22/h5-12H,2-4,13-14H2,1H3,(H,21,23)