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

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-[2-(1-pyrazolyl)ethyl]benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide Formula: C30H29N5O3S2 MolecularWeight: 571.71296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N(CCN3C=CC=N3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCC6=CC=CC=C6C5)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N(CCN3C=CC=N3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCC6=CC=CC=C6C5)C

InChI

InChI=1S/C30H29N5O3S2/c1-21-18-22(2)28-27(19-21)39-30(32-28)35(17-16-33-14-5-13-31-33)29(36)24-8-10-26(11-9-24)40(37,38)34-15-12-23-6-3-4-7-25(23)20-34/h3-11,13-14,18-19H,12,15-17,20H2,1-2H3