sodium; (4-aminophenyl)sulfonyl-pyrimidin-2-yl-azanide; 3-[4-(4-chlorophenyl)cyclohexyl]-4-oxidanyl-naphthalene-1,2-dione

Systemtic Name: sodium; (4-aminophenyl)sulfonyl-pyrimidin-2-yl-azanide; 3-[4-(4-chlorophenyl)cyclohexyl]-4-oxidanyl-naphthalene-1,2-dione Openeye Name: sodium; (4-aminophenyl)sulfonyl-pyrimidin-2-yl-azanide; 3-[4-(4-chlorophenyl)cyclohexyl]-4-hydroxy-naphthalene-1,2-dione CAS Name: sodium; (4-aminophenyl)sulfonyl-(2-pyrimidinyl)azanide; 3-[4-(4-chlorophenyl)cyclohexyl]-4-hydroxynaphthalene-1,2-dione IUPAC Name: sodium; (4-aminophenyl)sulfonyl-pyrimidin-2-ylazanide; 3-[4-(4-chlorophenyl)cyclohexyl]-4-hydroxynaphthalene-1,2-dione Traditional Name: sodium; 3-[4-(4-chlorophenyl)cyclohexyl]-4-hydroxy-1,2-naphthoquinone; 2-pyrimidyl(sulfanilyl)azanide Formula: C32H28ClN4NaO5S MolecularWeight: 639.09629

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=CC=C(C=C2)Cl)C3=C(C4=CC=CC=C4C(=O)C3=O)O.C1=CN=C(N=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)N.[Na+]

Isomeric SMILES

C1CC(CCC1C2=CC=C(C=C2)Cl)C3=C(C4=CC=CC=C4C(=O)C3=O)O.C1=CN=C(N=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)N.[Na+]

InChI

InChI=1S/C22H19ClO3.C10H9N4O2S.Na/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26;11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10;/h1-4,9-13,15,24H,5-8H2;1-7H,11H2;/q;-1;+1