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

Systemtic Name: sodium 3-[4-[(4-chlorophenyl)methylsulfonylamino]butyl]-6-propan-2-yl-azulene-1-sulfonate Openeye Name: sodium 3-[4-[(4-chlorophenyl)methylsulfonylamino]butyl]-6-isopropyl-azulene-1-sulfonate CAS Name: sodium 3-[4-[(4-chlorophenyl)methylsulfonylamino]butyl]-6-propan-2-yl-1-azulenesulfonate IUPAC Name: sodium 3-[4-[(4-chlorophenyl)methylsulfonylamino]butyl]-6-propan-2-ylazulene-1-sulfonate Traditional Name: sodium 3-[4-[(4-chlorobenzyl)sulfonylamino]butyl]-6-isopropyl-azulene-1-sulfonate Formula: C24H27ClNNaO5S2 MolecularWeight: 532.04765

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C2C(=C(C=C2S(=O)(=O)[O-])CCCCNS(=O)(=O)CC3=CC=C(C=C3)Cl)C=C1.[Na+]

Isomeric SMILES

CC(C)C1=CC=C2C(=C(C=C2S(=O)(=O)[O-])CCCCNS(=O)(=O)CC3=CC=C(C=C3)Cl)C=C1.[Na+]

InChI

InChI=1S/C24H28ClNO5S2.Na/c1-17(2)19-8-12-22-20(15-24(33(29,30)31)23(22)13-9-19)5-3-4-14-26-32(27,28)16-18-6-10-21(25)11-7-18;/h6-13,15,17,26H,3-5,14,16H2,1-2H3,(H,29,30,31);/q;+1/p-1