O-[2-(diethylamino)-2-oxidanylidene-ethyl] 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzenecarbothioate

Systemtic Name: O-[2-(diethylamino)-2-oxidanylidene-ethyl] 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzenecarbothioate Openeye Name: O-[2-(diethylamino)-2-oxo-ethyl] 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzenecarbothioate CAS Name: 4-phenoxy-3-(1-pyrrolidinyl)-5-sulfamoylbenzenecarbothioic acid O-[2-(diethylamino)-2-oxoethyl] ester IUPAC Name: O-[2-(diethylamino)-2-oxoethyl] 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoylbenzenecarbothioate Traditional Name: 4-phenoxy-3-pyrrolidino-5-sulfamoyl-thiobenzoic acid O-[2-(diethylamino)-2-keto-ethyl] ester Formula: C23H29N3O5S2 MolecularWeight: 491.62346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O5S2/c1-3-25(4-2)21(27)16-30-23(32)17-14-19(26-12-8-9-13-26)22(20(15-17)33(24,28)29)31-18-10-6-5-7-11-18/h5-7,10-11,14-15H,3-4,8-9,12-13,16H2,1-2H3,(H2,24,28,29)