5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propanoyl]-3,4-dihydro-2H-1,5-benzothiazepine-8-sulfonamide

Systemtic Name: 5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propanoyl]-3,4-dihydro-2H-1,5-benzothiazepine-8-sulfonamide Openeye Name: 5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propanoyl]-3,4-dihydro-2H-1,5-benzothiazepine-8-sulfonamide CAS Name: 5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropyl]-3,4-dihydro-2H-1,5-benzothiazepine-8-sulfonamide IUPAC Name: 5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propanoyl]-3,4-dihydro-2H-1,5-benzothiazepine-8-sulfonamide Traditional Name: 5-[3-(homoveratrylamino)propanoyl]-3,4-dihydro-2H-1,5-benzothiazepine-8-sulfonamide Formula: C22H29N3O5S2 MolecularWeight: 479.61276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCCC(=O)N2CCCSC3=C2C=CC(=C3)S(=O)(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCCC(=O)N2CCCSC3=C2C=CC(=C3)S(=O)(=O)N)OC

InChI

InChI=1S/C22H29N3O5S2/c1-29-19-7-4-16(14-20(19)30-2)8-10-24-11-9-22(26)25-12-3-13-31-21-15-17(32(23,27)28)5-6-18(21)25/h4-7,14-15,24H,3,8-13H2,1-2H3,(H2,23,27,28)