N-[4-[2-[[3-(4-azanyl-3-cyano-phenoxy)-2-oxidanyl-propyl]amino]ethyl]phenyl]quinoline-3-sulfonamide

Systemtic Name: N-[4-[2-[[3-(4-azanyl-3-cyano-phenoxy)-2-oxidanyl-propyl]amino]ethyl]phenyl]quinoline-3-sulfonamide Openeye Name: N-[4-[2-[[3-(4-amino-3-cyano-phenoxy)-2-hydroxy-propyl]amino]ethyl]phenyl]quinoline-3-sulfonamide CAS Name: N-[4-[2-[[3-(4-amino-3-cyanophenoxy)-2-hydroxypropyl]amino]ethyl]phenyl]-3-quinolinesulfonamide IUPAC Name: N-[4-[2-[[3-(4-amino-3-cyanophenoxy)-2-hydroxypropyl]amino]ethyl]phenyl]quinoline-3-sulfonamide Traditional Name: N-[4-[2-[[3-(4-amino-3-cyano-phenoxy)-2-hydroxy-propyl]amino]ethyl]phenyl]quinoline-3-sulfonamide Formula: C27H27N5O4S MolecularWeight: 517.59938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=N2)S(=O)(=O)NC3=CC=C(C=C3)CCNCC(COC4=CC(=C(C=C4)N)C#N)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=N2)S(=O)(=O)NC3=CC=C(C=C3)CCNCC(COC4=CC(=C(C=C4)N)C#N)O

InChI

InChI=1S/C27H27N5O4S/c28-15-21-13-24(9-10-26(21)29)36-18-23(33)16-30-12-11-19-5-7-22(8-6-19)32-37(34,35)25-14-20-3-1-2-4-27(20)31-17-25/h1-10,13-14,17,23,30,32-33H,11-12,16,18,29H2