2-[3-(3,5-dimethylphenoxy)propylsulfanyl]-5-pyrrolidin-1-ylsulfonyl-pyridine

Systemtic Name: 2-[3-(3,5-dimethylphenoxy)propylsulfanyl]-5-pyrrolidin-1-ylsulfonyl-pyridine Openeye Name: 2-[3-(3,5-dimethylphenoxy)propylsulfanyl]-5-pyrrolidin-1-ylsulfonyl-pyridine CAS Name: 2-[3-(3,5-dimethylphenoxy)propylthio]-5-(1-pyrrolidinylsulfonyl)pyridine IUPAC Name: 2-[3-(3,5-dimethylphenoxy)propylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine Traditional Name: 2-[3-(3,5-dimethylphenoxy)propylthio]-5-pyrrolidinosulfonyl-pyridine Formula: C20H26N2O3S2 MolecularWeight: 406.56204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCCSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCCSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C20H26N2O3S2/c1-16-12-17(2)14-18(13-16)25-10-5-11-26-20-7-6-19(15-21-20)27(23,24)22-8-3-4-9-22/h6-7,12-15H,3-5,8-11H2,1-2H3