6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-4-oxidanylidene-N-(phenylmethyl)quinoline-3-carboxamide

Systemtic Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-4-oxidanylidene-N-(phenylmethyl)quinoline-3-carboxamide Openeye Name: N-benzyl-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-4-oxo-quinoline-3-carboxamide CAS Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-4-oxo-N-(phenylmethyl)-3-quinolinecarboxamide IUPAC Name: N-benzyl-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-4-oxoquinoline-3-carboxamide Traditional Name: N-benzyl-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-4-keto-quinoline-3-carboxamide Formula: C28H27N3O4S MolecularWeight: 501.59668

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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=C5

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C28H27N3O4S/c1-2-30-19-25(28(33)29-17-20-8-4-3-5-9-20)27(32)24-16-23(12-13-26(24)30)36(34,35)31-15-14-21-10-6-7-11-22(21)18-31/h3-13,16,19H,2,14-15,17-18H2,1H3,(H,29,33)