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

Systemtic Name: N-[4-[2-[[3-(3-cyanophenoxy)-2-oxidanyl-propyl]amino]ethyl]phenyl]quinoline-3-sulfonamide Openeye Name: N-[4-[2-[[3-(3-cyanophenoxy)-2-hydroxy-propyl]amino]ethyl]phenyl]quinoline-3-sulfonamide CAS Name: N-[4-[2-[[3-(3-cyanophenoxy)-2-hydroxypropyl]amino]ethyl]phenyl]-3-quinolinesulfonamide IUPAC Name: N-[4-[2-[[3-(3-cyanophenoxy)-2-hydroxypropyl]amino]ethyl]phenyl]quinoline-3-sulfonamide Traditional Name: N-[4-[2-[[3-(3-cyanophenoxy)-2-hydroxy-propyl]amino]ethyl]phenyl]quinoline-3-sulfonamide Formula: C27H26N4O4S MolecularWeight: 502.58474

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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=CC(=C4)C#N)O

Isomeric SMILES

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

InChI

InChI=1S/C27H26N4O4S/c28-16-21-4-3-6-25(14-21)35-19-24(32)17-29-13-12-20-8-10-23(11-9-20)31-36(33,34)26-15-22-5-1-2-7-27(22)30-18-26/h1-11,14-15,18,24,29,31-32H,12-13,17,19H2