sodium 3-[3-[(4-chlorophenyl)sulfamoyl]propyl]-6-propan-2-yl-azulene-1-sulfonate

Systemtic Name: sodium 3-[3-[(4-chlorophenyl)sulfamoyl]propyl]-6-propan-2-yl-azulene-1-sulfonate Openeye Name: sodium 3-[3-[(4-chlorophenyl)sulfamoyl]propyl]-6-isopropyl-azulene-1-sulfonate CAS Name: sodium 3-[3-[(4-chlorophenyl)sulfamoyl]propyl]-6-propan-2-yl-1-azulenesulfonate IUPAC Name: sodium 3-[3-[(4-chlorophenyl)sulfamoyl]propyl]-6-propan-2-ylazulene-1-sulfonate Traditional Name: sodium 3-[3-[(4-chlorophenyl)sulfamoyl]propyl]-6-isopropyl-azulene-1-sulfonate Formula: C22H23ClNNaO5S2 MolecularWeight: 503.99449

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C2C(=C(C=C2S(=O)(=O)[O-])CCCS(=O)(=O)NC3=CC=C(C=C3)Cl)C=C1.[Na+]

Isomeric SMILES

CC(C)C1=CC=C2C(=C(C=C2S(=O)(=O)[O-])CCCS(=O)(=O)NC3=CC=C(C=C3)Cl)C=C1.[Na+]

InChI

InChI=1S/C22H24ClNO5S2.Na/c1-15(2)16-5-11-20-17(14-22(31(27,28)29)21(20)12-6-16)4-3-13-30(25,26)24-19-9-7-18(23)8-10-19;/h5-12,14-15,24H,3-4,13H2,1-2H3,(H,27,28,29);/q;+1/p-1