N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxidanylidene-6-piperidin-1-ylsulfonyl-1,4-benzothiazin-4-yl)ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxidanylidene-6-piperidin-1-ylsulfonyl-1,4-benzothiazin-4-yl)ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-oxo-6-(1-piperidylsulfonyl)-1,4-benzothiazin-4-yl]acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-oxo-6-(1-piperidinylsulfonyl)-1,4-benzothiazin-4-yl]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxo-6-piperidin-1-ylsulfonyl-1,4-benzothiazin-4-yl)acetamide Traditional Name: N-homoveratryl-2-(3-keto-6-piperidinosulfonyl-1,4-benzothiazin-4-yl)acetamide Formula: C25H31N3O6S2 MolecularWeight: 533.66014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CN2C(=O)CSC3=C2C=C(C=C3)S(=O)(=O)N4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CN2C(=O)CSC3=C2C=C(C=C3)S(=O)(=O)N4CCCCC4)OC

InChI

InChI=1S/C25H31N3O6S2/c1-33-21-8-6-18(14-22(21)34-2)10-11-26-24(29)16-28-20-15-19(7-9-23(20)35-17-25(28)30)36(31,32)27-12-4-3-5-13-27/h6-9,14-15H,3-5,10-13,16-17H2,1-2H3,(H,26,29)