4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)benzamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methyl-5-piperidinosulfonyl-phenyl)benzamide Formula: C28H31N3O5S2 MolecularWeight: 553.69284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C28H31N3O5S2/c1-21-9-12-26(38(35,36)30-16-5-2-6-17-30)19-27(21)29-28(32)23-10-13-25(14-11-23)37(33,34)31-18-15-22-7-3-4-8-24(22)20-31/h3-4,7-14,19H,2,5-6,15-18,20H2,1H3,(H,29,32)