2-[3-(3-methylphenoxy)propylsulfanyl]-5-piperidin-1-ylsulfonyl-pyridine

Systemtic Name: 2-[3-(3-methylphenoxy)propylsulfanyl]-5-piperidin-1-ylsulfonyl-pyridine Openeye Name: 2-[3-(3-methylphenoxy)propylsulfanyl]-5-(1-piperidylsulfonyl)pyridine CAS Name: 2-[3-(3-methylphenoxy)propylthio]-5-(1-piperidinylsulfonyl)pyridine IUPAC Name: 2-[3-(3-methylphenoxy)propylsulfanyl]-5-piperidin-1-ylsulfonylpyridine Traditional Name: 2-[3-(3-methylphenoxy)propylthio]-5-piperidinosulfonyl-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)N3CCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)OCCCSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H26N2O3S2/c1-17-7-5-8-18(15-17)25-13-6-14-26-20-10-9-19(16-21-20)27(23,24)22-11-3-2-4-12-22/h5,7-10,15-16H,2-4,6,11-14H2,1H3