2-[(2-methoxyphenyl)methylsulfanyl]-5-piperidin-1-ylsulfonyl-1,3-benzoxazole

Systemtic Name: 2-[(2-methoxyphenyl)methylsulfanyl]-5-piperidin-1-ylsulfonyl-1,3-benzoxazole Openeye Name: 2-[(2-methoxyphenyl)methylsulfanyl]-5-(1-piperidylsulfonyl)-1,3-benzoxazole CAS Name: 2-[(2-methoxyphenyl)methylthio]-5-(1-piperidinylsulfonyl)-1,3-benzoxazole IUPAC Name: 2-[(2-methoxyphenyl)methylsulfanyl]-5-piperidin-1-ylsulfonyl-1,3-benzoxazole Traditional Name: 2-(o-anisylthio)-5-piperidinosulfonyl-1,3-benzoxazole Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CSC2=NC3=C(O2)C=CC(=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1CSC2=NC3=C(O2)C=CC(=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C20H22N2O4S2/c1-25-18-8-4-3-7-15(18)14-27-20-21-17-13-16(9-10-19(17)26-20)28(23,24)22-11-5-2-6-12-22/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3