N-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]thiazol-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-thiazolyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]thiazol-2-yl]-4-pyrrolidinosulfonyl-benzamide Formula: C26H30N4O5S2 MolecularWeight: 542.6702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CC3=CSC(=N3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CC3=CSC(=N3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5)OC

InChI

InChI=1S/C26H30N4O5S2/c1-34-23-13-19-9-12-29(15-20(19)14-24(23)35-2)16-21-17-36-26(27-21)28-25(31)18-5-7-22(8-6-18)37(32,33)30-10-3-4-11-30/h5-8,13-14,17H,3-4,9-12,15-16H2,1-2H3,(H,27,28,31)