1-[3-[[2-(3-azanyl-3-oxidanylidene-propyl)-6-oxidanyl-4-oxidanylidene-2-phenethyl-3H-pyran-5-yl]-cyclopropyl-amino]phenyl]-4H-quinoline-8-sulfonic acid

Systemtic Name: 1-[3-[[2-(3-azanyl-3-oxidanylidene-propyl)-6-oxidanyl-4-oxidanylidene-2-phenethyl-3H-pyran-5-yl]-cyclopropyl-amino]phenyl]-4H-quinoline-8-sulfonic acid Openeye Name: 1-[3-[[2-(3-amino-3-oxo-propyl)-6-hydroxy-4-oxo-2-phenethyl-3H-pyran-5-yl]-cyclopropyl-amino]phenyl]-4H-quinoline-8-sulfonic acid CAS Name: 1-[3-[[2-(3-amino-3-oxopropyl)-6-hydroxy-4-oxo-2-phenethyl-3H-pyran-5-yl]-cyclopropylamino]phenyl]-4H-quinoline-8-sulfonic acid IUPAC Name: 1-[3-[[2-(3-amino-3-oxopropyl)-6-hydroxy-4-oxo-2-phenethyl-3H-pyran-5-yl]-cyclopropylamino]phenyl]-4H-quinoline-8-sulfonic acid Traditional Name: 1-[3-[[2-(3-amino-3-keto-propyl)-6-hydroxy-4-keto-2-phenethyl-3H-pyran-5-yl]-cyclopropyl-amino]phenyl]-4H-quinoline-8-sulfonic acid Formula: C34H35N3O7S MolecularWeight: 629.7226

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(C2=CC=CC(=C2)N3C=CCC4=C3C(=CC=C4)S(=O)(=O)O)C5=C(OC(CC5=O)(CCC6=CC=CC=C6)CCC(=O)N)O

Isomeric SMILES

C1CC1N(C2=CC=CC(=C2)N3C=CCC4=C3C(=CC=C4)S(=O)(=O)O)C5=C(OC(CC5=O)(CCC6=CC=CC=C6)CCC(=O)N)O

InChI

InChI=1S/C34H35N3O7S/c35-30(39)17-19-34(18-16-23-7-2-1-3-8-23)22-28(38)32(33(40)44-34)37(25-14-15-25)27-12-5-11-26(21-27)36-20-6-10-24-9-4-13-29(31(24)36)45(41,42)43/h1-9,11-13,20-21,25,40H,10,14-19,22H2,(H2,35,39)(H,41,42,43)