3-[6-phenyl-5-(4-sulfamoylphenyl)pyridin-3-yl]propyl N-methyl-N-oxidanyl-carbamodithioate

Systemtic Name: 3-[6-phenyl-5-(4-sulfamoylphenyl)pyridin-3-yl]propyl N-methyl-N-oxidanyl-carbamodithioate Openeye Name: 3-[6-phenyl-5-(4-sulfamoylphenyl)-3-pyridyl]propyl N-hydroxy-N-methyl-carbamodithioate CAS Name: N-hydroxy-N-methylcarbamodithioic acid 3-[6-phenyl-5-(4-sulfamoylphenyl)-3-pyridinyl]propyl ester IUPAC Name: 3-[6-phenyl-5-(4-sulfamoylphenyl)pyridin-3-yl]propyl N-hydroxy-N-methylcarbamodithioate Traditional Name: N-hydroxy-N-methyl-carbamodithioic acid 3-[6-phenyl-5-(4-sulfamoylphenyl)-3-pyridyl]propyl ester Formula: C22H23N3O3S3 MolecularWeight: 473.63132

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)SCCCC1=CN=C(C(=C1)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3)O

Isomeric SMILES

CN(C(=S)SCCCC1=CN=C(C(=C1)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3)O

InChI

InChI=1S/C22H23N3O3S3/c1-25(26)22(29)30-13-5-6-16-14-20(17-9-11-19(12-10-17)31(23,27)28)21(24-15-16)18-7-3-2-4-8-18/h2-4,7-12,14-15,26H,5-6,13H2,1H3,(H2,23,27,28)