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

Systemtic Name: sodium 3-[3-(phenylsulfamoyl)propyl]-6-propan-2-yl-azulene-1-sulfonate Openeye Name: sodium 6-isopropyl-3-[3-(phenylsulfamoyl)propyl]azulene-1-sulfonate CAS Name: sodium 3-[3-(phenylsulfamoyl)propyl]-6-propan-2-yl-1-azulenesulfonate IUPAC Name: sodium 3-[3-(phenylsulfamoyl)propyl]-6-propan-2-ylazulene-1-sulfonate Traditional Name: sodium 6-isopropyl-3-[3-(phenylsulfamoyl)propyl]azulene-1-sulfonate Formula: C22H24NNaO5S2 MolecularWeight: 469.54943

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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=CC=C3)C=C1.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO5S2.Na/c1-16(2)17-10-12-20-18(15-22(30(26,27)28)21(20)13-11-17)7-6-14-29(24,25)23-19-8-4-3-5-9-19;/h3-5,8-13,15-16,23H,6-7,14H2,1-2H3,(H,26,27,28);/q;+1/p-1