(2-methoxy-4-pyrrolidin-1-ylcarbothioyl-phenyl) 4-acetamidobenzenesulfonate

Systemtic Name: (2-methoxy-4-pyrrolidin-1-ylcarbothioyl-phenyl) 4-acetamidobenzenesulfonate Openeye Name: [2-methoxy-4-(pyrrolidine-1-carbothioyl)phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [2-methoxy-4-[1-pyrrolidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-(pyrrolidine-1-carbothioyl)phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [2-methoxy-4-(pyrrolidine-1-carbothioyl)phenyl] ester Formula: C20H22N2O5S2 MolecularWeight: 434.52908

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C(=S)N3CCCC3)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C(=S)N3CCCC3)OC

InChI

InChI=1S/C20H22N2O5S2/c1-14(23)21-16-6-8-17(9-7-16)29(24,25)27-18-10-5-15(13-19(18)26-2)20(28)22-11-3-4-12-22/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,23)