4-azanyl-N-pyrimidin-2-yl-benzenesulfonamide; 3-[3-(4-cyclohexylphenyl)propyl]-4-oxidanyl-naphthalene-1,2-dione

Systemtic Name: 4-azanyl-N-pyrimidin-2-yl-benzenesulfonamide; 3-[3-(4-cyclohexylphenyl)propyl]-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 4-amino-N-pyrimidin-2-yl-benzenesulfonamide; 3-[3-(4-cyclohexylphenyl)propyl]-4-hydroxy-naphthalene-1,2-dione CAS Name: 4-amino-N-(2-pyrimidinyl)benzenesulfonamide; 3-[3-(4-cyclohexylphenyl)propyl]-4-hydroxynaphthalene-1,2-dione IUPAC Name: 4-amino-N-pyrimidin-2-ylbenzenesulfonamide; 3-[3-(4-cyclohexylphenyl)propyl]-4-hydroxynaphthalene-1,2-dione Traditional Name: 4-amino-N-(2-pyrimidyl)benzenesulfonamide; 3-[3-(4-cyclohexylphenyl)propyl]-4-hydroxy-1,2-naphthoquinone Formula: C35H36N4O5S MolecularWeight: 624.74914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)CCCC3=C(C4=CC=CC=C4C(=O)C3=O)O.C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)CCCC3=C(C4=CC=CC=C4C(=O)C3=O)O.C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C25H26O3.C10H10N4O2S/c26-23-20-10-4-5-11-21(20)24(27)25(28)22(23)12-6-7-17-13-15-19(16-14-17)18-8-2-1-3-9-18;11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h4-5,10-11,13-16,18,26H,1-3,6-9,12H2;1-7H,11H2,(H,12,13,14)