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

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-dimethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-dimethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-dimethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-dimethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-dimethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide Formula: C29H32N4O4S2 MolecularWeight: 564.71878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N(CCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N(CCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C29H32N4O4S2/c1-4-37-25-10-7-11-26-27(25)30-29(38-26)33(19-18-31(2)3)28(34)22-12-14-24(15-13-22)39(35,36)32-17-16-21-8-5-6-9-23(21)20-32/h5-15H,4,16-20H2,1-3H3