7-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 7-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[[3-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]sulfonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-[3-(2,5-dimethoxyphenyl)pyrrolidino]sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C21H24N2O5S2 MolecularWeight: 448.55566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCN(C2)S(=O)(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2CCN(C2)S(=O)(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C21H24N2O5S2/c1-27-15-3-5-19(28-2)17(11-15)14-7-9-23(13-14)30(25,26)16-4-6-20-18(12-16)22-21(24)8-10-29-20/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,22,24)