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

Systemtic Name: 4-azanyl-N-pyrimidin-2-yl-benzenesulfonamide; 3-[3-(4-cycloheptylphenyl)propyl]-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 4-amino-N-pyrimidin-2-yl-benzenesulfonamide; 3-[3-(4-cycloheptylphenyl)propyl]-4-hydroxy-naphthalene-1,2-dione CAS Name: 4-amino-N-(2-pyrimidinyl)benzenesulfonamide; 3-[3-(4-cycloheptylphenyl)propyl]-4-hydroxynaphthalene-1,2-dione IUPAC Name: 4-amino-N-pyrimidin-2-ylbenzenesulfonamide; 3-[3-(4-cycloheptylphenyl)propyl]-4-hydroxynaphthalene-1,2-dione Traditional Name: 4-amino-N-(2-pyrimidyl)benzenesulfonamide; 3-[3-(4-cycloheptylphenyl)propyl]-4-hydroxy-1,2-naphthoquinone Formula: C36H38N4O5S MolecularWeight: 638.77572

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(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

C1CCCC(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/C26H28O3.C10H10N4O2S/c27-24-21-11-5-6-12-22(21)25(28)26(29)23(24)13-7-8-18-14-16-20(17-15-18)19-9-3-1-2-4-10-19;11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h5-6,11-12,14-17,19,27H,1-4,7-10,13H2;1-7H,11H2,(H,12,13,14)