pyridin-3-ylmethyl N-[4-(3-methylbutylsulfonyl)phenyl]sulfanylcarbamate

Systemtic Name: pyridin-3-ylmethyl N-[4-(3-methylbutylsulfonyl)phenyl]sulfanylcarbamate Openeye Name: 3-pyridylmethyl N-(4-isopentylsulfonylphenyl)sulfanylcarbamate CAS Name: N-[[4-(3-methylbutylsulfonyl)phenyl]thio]carbamic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl N-[4-(3-methylbutylsulfonyl)phenyl]sulfanylcarbamate Traditional Name: N-[(4-isoamylsulfonylphenyl)thio]carbamic acid 3-pyridylmethyl ester Formula: C18H22N2O4S2 MolecularWeight: 394.50828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCS(=O)(=O)C1=CC=C(C=C1)SNC(=O)OCC2=CN=CC=C2

Isomeric SMILES

CC(C)CCS(=O)(=O)C1=CC=C(C=C1)SNC(=O)OCC2=CN=CC=C2

InChI

InChI=1S/C18H22N2O4S2/c1-14(2)9-11-26(22,23)17-7-5-16(6-8-17)25-20-18(21)24-13-15-4-3-10-19-12-15/h3-8,10,12,14H,9,11,13H2,1-2H3,(H,20,21)