octyl 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzenecarbodithioate

Systemtic Name: octyl 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzenecarbodithioate Openeye Name: octyl 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzenecarbodithioate CAS Name: 4-phenoxy-3-(1-pyrrolidinyl)-5-sulfamoylbenzenecarbodithioic acid octyl ester IUPAC Name: octyl 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoylbenzenecarbodithioate Traditional Name: 4-phenoxy-3-pyrrolidino-5-sulfamoyl-benzenecarbodithioic acid octyl ester Formula: C25H34N2O3S3 MolecularWeight: 506.74406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O3S3/c1-2-3-4-5-6-12-17-32-25(31)20-18-22(27-15-10-11-16-27)24(23(19-20)33(26,28)29)30-21-13-8-7-9-14-21/h7-9,13-14,18-19H,2-6,10-12,15-17H2,1H3,(H2,26,28,29)