N-[(2-chlorophenyl)methyl]-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: N-[(2-chlorophenyl)methyl]-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-4-oxo-quinoline-3-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-4-oxo-3-quinolinecarboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-4-oxoquinoline-3-carboxamide Traditional Name: N-(2-chlorobenzyl)-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-4-keto-quinoline-3-carboxamide Formula: C28H26ClN3O4S MolecularWeight: 536.04174

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)C(=O)NCC5=CC=CC=C5Cl

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)C(=O)NCC5=CC=CC=C5Cl

InChI

InChI=1S/C28H26ClN3O4S/c1-2-31-18-24(28(34)30-16-20-8-5-6-10-25(20)29)27(33)23-15-22(11-12-26(23)31)37(35,36)32-14-13-19-7-3-4-9-21(19)17-32/h3-12,15,18H,2,13-14,16-17H2,1H3,(H,30,34)