N-[[3-[[(4-azanylquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide

Systemtic Name: N-[[3-[[(4-azanylquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide Openeye Name: N-[[3-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide CAS Name: N-[[3-[[(4-amino-2-quinazolinyl)amino]methyl]cyclohexyl]methyl]-1-naphthalenesulfonamide IUPAC Name: N-[[3-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide Traditional Name: N-[[3-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide Formula: C26H29N5O2S MolecularWeight: 475.60576

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)CNS(=O)(=O)C2=CC=CC3=CC=CC=C32)CNC4=NC5=CC=CC=C5C(=N4)N

Isomeric SMILES

C1CC(CC(C1)CNS(=O)(=O)C2=CC=CC3=CC=CC=C32)CNC4=NC5=CC=CC=C5C(=N4)N

InChI

InChI=1S/C26H29N5O2S/c27-25-22-12-3-4-13-23(22)30-26(31-25)28-16-18-7-5-8-19(15-18)17-29-34(32,33)24-14-6-10-20-9-1-2-11-21(20)24/h1-4,6,9-14,18-19,29H,5,7-8,15-17H2,(H3,27,28,30,31)