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

Systemtic Name: N-[2-(dibutylamino)ethyl]-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: N-[2-(dibutylamino)ethyl]-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-4-oxo-quinoline-3-carboxamide CAS Name: N-[2-(dibutylamino)ethyl]-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-4-oxo-3-quinolinecarboxamide IUPAC Name: N-[2-(dibutylamino)ethyl]-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-4-oxoquinoline-3-carboxamide Traditional Name: N-[2-(dibutylamino)ethyl]-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-4-keto-quinoline-3-carboxamide Formula: C31H42N4O4S MolecularWeight: 566.75458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCNC(=O)C1=CN(C2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)CC

Isomeric SMILES

CCCCN(CCCC)CCNC(=O)C1=CN(C2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)CC

InChI

InChI=1S/C31H42N4O4S/c1-4-7-17-33(18-8-5-2)20-16-32-31(37)28-23-34(6-3)29-14-13-26(21-27(29)30(28)36)40(38,39)35-19-15-24-11-9-10-12-25(24)22-35/h9-14,21,23H,4-8,15-20,22H2,1-3H3,(H,32,37)