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

Systemtic Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-quinoline-3-carboxamide CAS Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-N-[3-(4-methyl-1-piperazinyl)propyl]-4-oxo-3-quinolinecarboxamide IUPAC Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxoquinoline-3-carboxamide Traditional Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-4-keto-N-[3-(4-methylpiperazino)propyl]quinoline-3-carboxamide Formula: C29H37N5O4S MolecularWeight: 551.70018

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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)NCCCN5CCN(CC5)C

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)C(=O)NCCCN5CCN(CC5)C

InChI

InChI=1S/C29H37N5O4S/c1-3-33-21-26(29(36)30-12-6-13-32-17-15-31(2)16-18-32)28(35)25-19-24(9-10-27(25)33)39(37,38)34-14-11-22-7-4-5-8-23(22)20-34/h4-5,7-10,19,21H,3,6,11-18,20H2,1-2H3,(H,30,36)