2-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonyl-pyridine

Systemtic Name: 2-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonyl-pyridine Openeye Name: 2-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonyl-pyridine CAS Name: 2-[(2-methoxy-5-methylphenyl)methylthio]-5-(1-pyrrolidinylsulfonyl)pyridine IUPAC Name: 2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine Traditional Name: 2-[(2-methoxy-5-methyl-benzyl)thio]-5-pyrrolidinosulfonyl-pyridine Formula: C18H22N2O3S2 MolecularWeight: 378.50888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H22N2O3S2/c1-14-5-7-17(23-2)15(11-14)13-24-18-8-6-16(12-19-18)25(21,22)20-9-3-4-10-20/h5-8,11-12H,3-4,9-10,13H2,1-2H3