[2-[(2,3-dimethoxyphenyl)methylsulfanyl]-5-morpholin-4-ylsulfonyl-phenyl]-(4-methylpiperidin-1-yl)methanone

Systemtic Name: [2-[(2,3-dimethoxyphenyl)methylsulfanyl]-5-morpholin-4-ylsulfonyl-phenyl]-(4-methylpiperidin-1-yl)methanone Openeye Name: [2-[(2,3-dimethoxyphenyl)methylsulfanyl]-5-morpholinosulfonyl-phenyl]-(4-methyl-1-piperidyl)methanone CAS Name: [2-[(2,3-dimethoxyphenyl)methylthio]-5-(4-morpholinylsulfonyl)phenyl]-(4-methyl-1-piperidinyl)methanone IUPAC Name: [2-[(2,3-dimethoxyphenyl)methylsulfanyl]-5-morpholin-4-ylsulfonylphenyl]-(4-methylpiperidin-1-yl)methanone Traditional Name: (4-methylpiperidino)-[5-morpholinosulfonyl-2-(o-veratrylthio)phenyl]methanone Formula: C26H34N2O6S2 MolecularWeight: 534.68796

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)SCC4=C(C(=CC=C4)OC)OC

Isomeric SMILES

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)SCC4=C(C(=CC=C4)OC)OC

InChI

InChI=1S/C26H34N2O6S2/c1-19-9-11-27(12-10-19)26(29)22-17-21(36(30,31)28-13-15-34-16-14-28)7-8-24(22)35-18-20-5-4-6-23(32-2)25(20)33-3/h4-8,17,19H,9-16,18H2,1-3H3