sodium 3-[5-(phenylsulfamoyl)pentyl]-6-propan-2-yl-azulene-1-sulfonate

Systemtic Name: sodium 3-[5-(phenylsulfamoyl)pentyl]-6-propan-2-yl-azulene-1-sulfonate Openeye Name: sodium 6-isopropyl-3-[5-(phenylsulfamoyl)pentyl]azulene-1-sulfonate CAS Name: sodium 3-[5-(phenylsulfamoyl)pentyl]-6-propan-2-yl-1-azulenesulfonate IUPAC Name: sodium 3-[5-(phenylsulfamoyl)pentyl]-6-propan-2-ylazulene-1-sulfonate Traditional Name: sodium 6-isopropyl-3-[5-(phenylsulfamoyl)pentyl]azulene-1-sulfonate Formula: C24H28NNaO5S2 MolecularWeight: 497.60259

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO5S2.Na/c1-18(2)19-12-14-22-20(17-24(32(28,29)30)23(22)15-13-19)9-5-4-8-16-31(26,27)25-21-10-6-3-7-11-21;/h3,6-7,10-15,17-18,25H,4-5,8-9,16H2,1-2H3,(H,28,29,30);/q;+1/p-1