5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-morpholin-4-ylsulfonylphenyl)-2,3-bis(oxidanyl)benzamide

Systemtic Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-morpholin-4-ylsulfonylphenyl)-2,3-bis(oxidanyl)benzamide Openeye Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,3-dihydroxy-N-(4-morpholinosulfonylphenyl)benzamide CAS Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,3-dihydroxy-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide IUPAC Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,3-dihydroxy-N-(4-morpholin-4-ylsulfonylphenyl)benzamide Traditional Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,3-dihydroxy-N-(4-morpholinosulfonylphenyl)benzamide Formula: C26H27N3O8S2 MolecularWeight: 573.63788

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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)NC4=CC=C(C=C4)S(=O)(=O)N5CCOCC5)O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC(=C(C(=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCOCC5)O)O

InChI

InChI=1S/C26H27N3O8S2/c30-24-16-22(39(35,36)29-10-9-18-3-1-2-4-19(18)17-29)15-23(25(24)31)26(32)27-20-5-7-21(8-6-20)38(33,34)28-11-13-37-14-12-28/h1-8,15-16,30-31H,9-14,17H2,(H,27,32)