4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(2-ethoxyethyl)-6-mesyl-1,3-benzothiazol-2-ylidene]benzamide Formula: C28H29N3O6S3 MolecularWeight: 599.74136

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C28H29N3O6S3/c1-3-37-17-16-31-25-13-12-24(39(2,33)34)18-26(25)38-28(31)29-27(32)21-8-10-23(11-9-21)40(35,36)30-15-14-20-6-4-5-7-22(20)19-30/h4-13,18H,3,14-17,19H2,1-2H3