N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-phenyl-quinazolin-4-amine

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-phenyl-quinazolin-4-amine Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-phenyl-quinazolin-4-amine CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-phenyl-4-quinazolinamine IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-phenylquinazolin-4-amine Traditional Name: [3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-(2-phenylquinazolin-4-yl)amine Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C27H28N4O2S/c1-20-15-16-22(19-25(20)34(32,33)31-17-9-2-3-10-18-31)28-27-23-13-7-8-14-24(23)29-26(30-27)21-11-5-4-6-12-21/h4-8,11-16,19H,2-3,9-10,17-18H2,1H3,(H,28,29,30)