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

Systemtic Name: N-butan-2-yl-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-4-oxo-N-sec-butyl-quinoline-3-carboxamide CAS Name: N-butan-2-yl-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-4-oxo-3-quinolinecarboxamide IUPAC Name: N-butan-2-yl-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-4-oxoquinoline-3-carboxamide Traditional Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-4-keto-N-sec-butyl-quinoline-3-carboxamide Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CN(C2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)CC

Isomeric SMILES

CCC(C)NC(=O)C1=CN(C2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)CC

InChI

InChI=1S/C25H29N3O4S/c1-4-17(3)26-25(30)22-16-27(5-2)23-11-10-20(14-21(23)24(22)29)33(31,32)28-13-12-18-8-6-7-9-19(18)15-28/h6-11,14,16-17H,4-5,12-13,15H2,1-3H3,(H,26,30)