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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CCNC2=NC3=CC=CC=C3C(=N2)N)CNS(=O)(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CC(CCC1CCNC2=NC3=CC=CC=C3C(=N2)N)CNS(=O)(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H31N5O2S/c28-26-23-9-3-4-10-24(23)31-27(32-26)29-17-16-19-12-14-20(15-13-19)18-30-35(33,34)25-11-5-7-21-6-1-2-8-22(21)25/h1-11,19-20,30H,12-18H2,(H3,28,29,31,32)