4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-[2-(1-pyrazolyl)ethyl]benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide Formula: C29H27N5O4S2 MolecularWeight: 573.68578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)N(CCN3C=CC=N3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCC6=CC=CC=C6C5

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)N(CCN3C=CC=N3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCC6=CC=CC=C6C5

InChI

InChI=1S/C29H27N5O4S2/c1-38-24-9-12-26-27(19-24)39-29(31-26)34(18-17-32-15-4-14-30-32)28(35)22-7-10-25(11-8-22)40(36,37)33-16-13-21-5-2-3-6-23(21)20-33/h2-12,14-15,19H,13,16-18,20H2,1H3