O-(phenylmethyl) 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzenecarbothioate

Systemtic Name: O-(phenylmethyl) 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzenecarbothioate Openeye Name: O-benzyl 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzenecarbothioate CAS Name: 4-phenoxy-3-(1-pyrrolidinyl)-5-sulfamoylbenzenecarbothioic acid O-(phenylmethyl) ester IUPAC Name: O-benzyl 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoylbenzenecarbothioate Traditional Name: 4-phenoxy-3-pyrrolidino-5-sulfamoyl-thiobenzoic acid O-benzyl ester Formula: C24H24N2O4S2 MolecularWeight: 468.58836

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C(=CC(=C2)C(=S)OCC3=CC=CC=C3)S(=O)(=O)N)OC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=C(C(=CC(=C2)C(=S)OCC3=CC=CC=C3)S(=O)(=O)N)OC4=CC=CC=C4

InChI

InChI=1S/C24H24N2O4S2/c25-32(27,28)22-16-19(24(31)29-17-18-9-3-1-4-10-18)15-21(26-13-7-8-14-26)23(22)30-20-11-5-2-6-12-20/h1-6,9-12,15-16H,7-8,13-14,17H2,(H2,25,27,28)