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

Systemtic Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-oxidanylidene-N-phenethyl-1H-quinoline-3-carboxamide Openeye Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-oxo-N-phenethyl-1H-quinoline-3-carboxamide CAS Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-oxo-N-phenethyl-1H-quinoline-3-carboxamide IUPAC Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-oxo-N-phenethyl-1H-quinoline-3-carboxamide Traditional Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-keto-N-phenethyl-1H-quinoline-3-carboxamide Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC4=C(C=C3)NC=C(C4=O)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC4=C(C=C3)NC=C(C4=O)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C27H25N3O4S/c31-26-23-16-22(35(33,34)30-15-13-20-8-4-5-9-21(20)18-30)10-11-25(23)29-17-24(26)27(32)28-14-12-19-6-2-1-3-7-19/h1-11,16-17H,12-15,18H2,(H,28,32)(H,29,31)