1-[3-(4-azanyl-3-cyano-phenoxy)-2-oxidanyl-propyl]-N-(2-azanylethyl)-N-phenyl-4H-quinoline-3-sulfonamide

Systemtic Name: 1-[3-(4-azanyl-3-cyano-phenoxy)-2-oxidanyl-propyl]-N-(2-azanylethyl)-N-phenyl-4H-quinoline-3-sulfonamide Openeye Name: 1-[3-(4-amino-3-cyano-phenoxy)-2-hydroxy-propyl]-N-(2-aminoethyl)-N-phenyl-4H-quinoline-3-sulfonamide CAS Name: 1-[3-(4-amino-3-cyanophenoxy)-2-hydroxypropyl]-N-(2-aminoethyl)-N-phenyl-4H-quinoline-3-sulfonamide IUPAC Name: 1-[3-(4-amino-3-cyanophenoxy)-2-hydroxypropyl]-N-(2-aminoethyl)-N-phenyl-4H-quinoline-3-sulfonamide Traditional Name: 1-[3-(4-amino-3-cyano-phenoxy)-2-hydroxy-propyl]-N-(2-aminoethyl)-N-phenyl-4H-quinoline-3-sulfonamide Formula: C27H29N5O4S MolecularWeight: 519.61526

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2N(C=C1S(=O)(=O)N(CCN)C3=CC=CC=C3)CC(COC4=CC(=C(C=C4)N)C#N)O

Isomeric SMILES

C1C2=CC=CC=C2N(C=C1S(=O)(=O)N(CCN)C3=CC=CC=C3)CC(COC4=CC(=C(C=C4)N)C#N)O

InChI

InChI=1S/C27H29N5O4S/c28-12-13-32(22-7-2-1-3-8-22)37(34,35)25-15-20-6-4-5-9-27(20)31(18-25)17-23(33)19-36-24-10-11-26(30)21(14-24)16-29/h1-11,14,18,23,33H,12-13,15,17,19,28,30H2