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

Systemtic Name: sodium 3-[4-(phenylsulfonylamino)butyl]-6-propan-2-yl-azulene-1-sulfonate Openeye Name: sodium 3-[4-(benzenesulfonamido)butyl]-6-isopropyl-azulene-1-sulfonate CAS Name: sodium 3-[4-(benzenesulfonamido)butyl]-6-propan-2-yl-1-azulenesulfonate IUPAC Name: sodium 3-[4-(benzenesulfonamido)butyl]-6-propan-2-ylazulene-1-sulfonate Traditional Name: sodium 3-[4-(benzenesulfonamido)butyl]-6-isopropyl-azulene-1-sulfonate Formula: C23H26NNaO5S2 MolecularWeight: 483.57601

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO5S2.Na/c1-17(2)18-11-13-21-19(16-23(31(27,28)29)22(21)14-12-18)8-6-7-15-24-30(25,26)20-9-4-3-5-10-20;/h3-5,9-14,16-17,24H,6-8,15H2,1-2H3,(H,27,28,29);/q;+1/p-1