4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(4-ethoxyphenyl)thiazol-2-yl]benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(4-ethoxyphenyl)-2-thiazolyl]benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-p-phenetylthiazol-2-yl)benzamide Formula: C27H25N3O4S2 MolecularWeight: 519.6351

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H25N3O4S2/c1-2-34-23-11-7-20(8-12-23)25-18-35-27(28-25)29-26(31)21-9-13-24(14-10-21)36(32,33)30-16-15-19-5-3-4-6-22(19)17-30/h3-14,18H,2,15-17H2,1H3,(H,28,29,31)