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

Systemtic Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(dipropylamino)propyl]-1-ethyl-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(dipropylamino)propyl]-1-ethyl-4-oxo-quinoline-3-carboxamide CAS Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(dipropylamino)propyl]-1-ethyl-4-oxo-3-quinolinecarboxamide IUPAC Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(dipropylamino)propyl]-1-ethyl-4-oxoquinoline-3-carboxamide Traditional Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(dipropylamino)propyl]-1-ethyl-4-keto-quinoline-3-carboxamide Formula: C30H40N4O4S MolecularWeight: 552.728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H40N4O4S/c1-4-16-32(17-5-2)18-9-15-31-30(36)27-22-33(6-3)28-13-12-25(20-26(28)29(27)35)39(37,38)34-19-14-23-10-7-8-11-24(23)21-34/h7-8,10-13,20,22H,4-6,9,14-19,21H2,1-3H3,(H,31,36)