sodium 3-[4-[(4-chlorophenyl)sulfonylamino]-4-oxidanylidene-butyl]-6-propan-2-yl-azulene-1-sulfonate

Systemtic Name: sodium 3-[4-[(4-chlorophenyl)sulfonylamino]-4-oxidanylidene-butyl]-6-propan-2-yl-azulene-1-sulfonate Openeye Name: sodium 3-[4-[(4-chlorophenyl)sulfonylamino]-4-oxo-butyl]-6-isopropyl-azulene-1-sulfonate CAS Name: sodium 3-[4-[(4-chlorophenyl)sulfonylamino]-4-oxobutyl]-6-propan-2-yl-1-azulenesulfonate IUPAC Name: sodium 3-[4-[(4-chlorophenyl)sulfonylamino]-4-oxobutyl]-6-propan-2-ylazulene-1-sulfonate Traditional Name: sodium 3-[4-[(4-chlorophenyl)sulfonylamino]-4-keto-butyl]-6-isopropyl-azulene-1-sulfonate Formula: C23H23ClNNaO6S2 MolecularWeight: 532.00459

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C2C(=C(C=C2S(=O)(=O)[O-])CCCC(=O)NS(=O)(=O)C3=CC=C(C=C3)Cl)C=C1.[Na+]

Isomeric SMILES

CC(C)C1=CC=C2C(=C(C=C2S(=O)(=O)[O-])CCCC(=O)NS(=O)(=O)C3=CC=C(C=C3)Cl)C=C1.[Na+]

InChI

InChI=1S/C23H24ClNO6S2.Na/c1-15(2)16-6-12-20-17(14-22(33(29,30)31)21(20)13-7-16)4-3-5-23(26)25-32(27,28)19-10-8-18(24)9-11-19;/h6-15H,3-5H2,1-2H3,(H,25,26)(H,29,30,31);/q;+1/p-1