4-[5-(3-morpholin-4-ylpropyl)quinolin-8-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide

Systemtic Name: 4-[5-(3-morpholin-4-ylpropyl)quinolin-8-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-[5-(3-morpholinopropyl)-8-quinolyl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-[5-[3-(4-morpholinyl)propyl]-8-quinolinyl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-[5-(3-morpholin-4-ylpropyl)quinolin-8-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-[5-(3-morpholinopropyl)-8-quinolyl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C37H37N5O6S2 MolecularWeight: 711.84958

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCC2=C3C=CC=NC3=C(C=C2)C4=CC=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCCSC6=CC=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCCC2=C3C=CC=NC3=C(C=C2)C4=CC=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCCSC6=CC=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C37H37N5O6S2/c43-37(40-50(46,47)31-15-17-34(35(26-31)42(44)45)38-19-25-49-30-7-2-1-3-8-30)29-12-10-28(11-13-29)33-16-14-27(32-9-4-18-39-36(32)33)6-5-20-41-21-23-48-24-22-41/h1-4,7-18,26,38H,5-6,19-25H2,(H,40,43)