N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,3-dimethoxyphenyl)methylsulfanyl]-5-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,3-dimethoxyphenyl)methylsulfanyl]-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,3-dimethoxyphenyl)methylsulfanyl]-5-morpholinosulfonyl-benzamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[(2,3-dimethoxyphenyl)methylthio]-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,3-dimethoxyphenyl)methylsulfanyl]-5-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-5-morpholinosulfonyl-2-(o-veratrylthio)benzamide Formula: C28H36N2O6S2 MolecularWeight: 560.72524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CSC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)NCCC4=CCCCC4

Isomeric SMILES

COC1=CC=CC(=C1OC)CSC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)NCCC4=CCCCC4

InChI

InChI=1S/C28H36N2O6S2/c1-34-25-10-6-9-22(27(25)35-2)20-37-26-12-11-23(38(32,33)30-15-17-36-18-16-30)19-24(26)28(31)29-14-13-21-7-4-3-5-8-21/h6-7,9-12,19H,3-5,8,13-18,20H2,1-2H3,(H,29,31)