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

Systemtic Name: N-[[4-[[(4-azanylquinazolin-2-yl)-methyl-amino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide Openeye Name: N-[[4-[[(4-aminoquinazolin-2-yl)-methyl-amino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide CAS Name: N-[[4-[[(4-amino-2-quinazolinyl)-methylamino]methyl]cyclohexyl]methyl]-1-naphthalenesulfonamide IUPAC Name: N-[[4-[[(4-aminoquinazolin-2-yl)-methylamino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide Traditional Name: N-[[4-[[(4-aminoquinazolin-2-yl)-methyl-amino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide Formula: C27H31N5O2S MolecularWeight: 489.63234

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCC(CC1)CNS(=O)(=O)C2=CC=CC3=CC=CC=C32)C4=NC5=CC=CC=C5C(=N4)N

Isomeric SMILES

CN(CC1CCC(CC1)CNS(=O)(=O)C2=CC=CC3=CC=CC=C32)C4=NC5=CC=CC=C5C(=N4)N

InChI

InChI=1S/C27H31N5O2S/c1-32(27-30-24-11-5-4-10-23(24)26(28)31-27)18-20-15-13-19(14-16-20)17-29-35(33,34)25-12-6-8-21-7-2-3-9-22(21)25/h2-12,19-20,29H,13-18H2,1H3,(H2,28,30,31)