N-[[[6-[[(4-cyanophenyl)amino]methyl]pyridin-2-yl]amino]methyl]quinoline-8-sulfonamide

Systemtic Name: N-[[[6-[[(4-cyanophenyl)amino]methyl]pyridin-2-yl]amino]methyl]quinoline-8-sulfonamide Openeye Name: N-[[[6-[(4-cyanoanilino)methyl]-2-pyridyl]amino]methyl]quinoline-8-sulfonamide CAS Name: N-[[[6-[(4-cyanoanilino)methyl]-2-pyridinyl]amino]methyl]-8-quinolinesulfonamide IUPAC Name: N-[[[6-[(4-cyanoanilino)methyl]pyridin-2-yl]amino]methyl]quinoline-8-sulfonamide Traditional Name: N-[[[6-[(4-cyanoanilino)methyl]-2-pyridyl]amino]methyl]quinoline-8-sulfonamide Formula: C23H20N6O2S MolecularWeight: 444.5089

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)S(=O)(=O)NCNC3=CC=CC(=N3)CNC4=CC=C(C=C4)C#N)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)S(=O)(=O)NCNC3=CC=CC(=N3)CNC4=CC=C(C=C4)C#N)N=CC=C2

InChI

InChI=1S/C23H20N6O2S/c24-14-17-9-11-19(12-10-17)26-15-20-6-2-8-22(29-20)27-16-28-32(30,31)21-7-1-4-18-5-3-13-25-23(18)21/h1-13,26,28H,15-16H2,(H,27,29)