O-methyl 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzenecarbothioate

Systemtic Name: O-methyl 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzenecarbothioate Openeye Name: O-methyl 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzenecarbothioate CAS Name: 4-phenoxy-3-(1-pyrrolidinyl)-5-sulfamoylbenzenecarbothioic acid O-methyl ester IUPAC Name: O-methyl 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoylbenzenecarbothioate Traditional Name: 4-phenoxy-3-pyrrolidino-5-sulfamoyl-thiobenzoic acid O-methyl ester Formula: C18H20N2O4S2 MolecularWeight: 392.4924

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Descriptors Computed from Structure

Canonical SMILES:

COC(=S)C1=CC(=C(C(=C1)S(=O)(=O)N)OC2=CC=CC=C2)N3CCCC3

Isomeric SMILES

COC(=S)C1=CC(=C(C(=C1)S(=O)(=O)N)OC2=CC=CC=C2)N3CCCC3

InChI

InChI=1S/C18H20N2O4S2/c1-23-18(25)13-11-15(20-9-5-6-10-20)17(16(12-13)26(19,21)22)24-14-7-3-2-4-8-14/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H2,19,21,22)