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

Systemtic Name: 4-[5-(3-morpholin-4-yl-3-oxidanylidene-propyl)quinolin-8-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-[5-(3-morpholino-3-oxo-propyl)-8-quinolyl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-[5-[3-(4-morpholinyl)-3-oxopropyl]-8-quinolinyl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-[5-(3-morpholin-4-yl-3-oxopropyl)quinolin-8-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-[5-(3-keto-3-morpholino-propyl)-8-quinolyl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C37H35N5O7S2 MolecularWeight: 725.8331

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CCC2=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

C1COCCN1C(=O)CCC2=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/C37H35N5O7S2/c43-35(41-20-22-49-23-21-41)17-13-27-12-15-32(36-31(27)7-4-18-39-36)26-8-10-28(11-9-26)37(44)40-51(47,48)30-14-16-33(34(25-30)42(45)46)38-19-24-50-29-5-2-1-3-6-29/h1-12,14-16,18,25,38H,13,17,19-24H2,(H,40,44)