N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,3-dimethoxyphenyl)methylsulfanyl]-5-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,3-dimethoxyphenyl)methylsulfanyl]-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,3-dimethoxyphenyl)methylsulfanyl]-5-morpholinosulfonyl-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,3-dimethoxyphenyl)methylthio]-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,3-dimethoxyphenyl)methylsulfanyl]-5-morpholin-4-ylsulfonylbenzamide Traditional Name: 5-morpholinosulfonyl-2-(o-veratrylthio)-N-piperonyl-benzamide Formula: C28H30N2O8S2 MolecularWeight: 586.6764

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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)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=CC(=C1OC)CSC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H30N2O8S2/c1-34-24-5-3-4-20(27(24)35-2)17-39-26-9-7-21(40(32,33)30-10-12-36-13-11-30)15-22(26)28(31)29-16-19-6-8-23-25(14-19)38-18-37-23/h3-9,14-15H,10-13,16-18H2,1-2H3,(H,29,31)