N-(1,3-benzothiazol-2-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-pyrazol-1-ylethyl)benzamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-pyrazol-1-ylethyl)benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-pyrazol-1-ylethyl)benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(1-pyrazolyl)ethyl]benzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-pyrazol-1-ylethyl)benzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-pyrazol-1-ylethyl)benzamide Formula: C28H25N5O3S2 MolecularWeight: 543.6598

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)N(CCN4C=CC=N4)C5=NC6=CC=CC=C6S5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)N(CCN4C=CC=N4)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C28H25N5O3S2/c34-27(33(19-18-31-16-5-15-29-31)28-30-25-8-3-4-9-26(25)37-28)22-10-12-24(13-11-22)38(35,36)32-17-14-21-6-1-2-7-23(21)20-32/h1-13,15-16H,14,17-20H2