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

Systemtic Name: 3-methylbutyl 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzenecarbodithioate Openeye Name: isopentyl 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzenecarbodithioate CAS Name: 4-phenoxy-3-(1-pyrrolidinyl)-5-sulfamoylbenzenecarbodithioic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoylbenzenecarbodithioate Traditional Name: 4-phenoxy-3-pyrrolidino-5-sulfamoyl-benzenecarbodithioic acid isoamyl ester Formula: C22H28N2O3S3 MolecularWeight: 464.66432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3S3/c1-16(2)10-13-29-22(28)17-14-19(24-11-6-7-12-24)21(20(15-17)30(23,25)26)27-18-8-4-3-5-9-18/h3-5,8-9,14-16H,6-7,10-13H2,1-2H3,(H2,23,25,26)