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

Systemtic Name: sodium 3-[4-[(4-methoxyphenyl)sulfonylamino]butyl]-6-propan-2-yl-azulene-1-sulfonate Openeye Name: sodium 6-isopropyl-3-[4-[(4-methoxyphenyl)sulfonylamino]butyl]azulene-1-sulfonate CAS Name: sodium 3-[4-[(4-methoxyphenyl)sulfonylamino]butyl]-6-propan-2-yl-1-azulenesulfonate IUPAC Name: sodium 3-[4-[(4-methoxyphenyl)sulfonylamino]butyl]-6-propan-2-ylazulene-1-sulfonate Traditional Name: sodium 6-isopropyl-3-[4-[(4-methoxyphenyl)sulfonylamino]butyl]azulene-1-sulfonate Formula: C24H28NNaO6S2 MolecularWeight: 513.60199

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO6S2.Na/c1-17(2)18-7-13-22-19(16-24(33(28,29)30)23(22)14-8-18)6-4-5-15-25-32(26,27)21-11-9-20(31-3)10-12-21;/h7-14,16-17,25H,4-6,15H2,1-3H3,(H,28,29,30);/q;+1/p-1