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

Systemtic Name: sodium 3-[4-oxidanylidene-4-(phenylsulfonylamino)butyl]-6-propan-2-yl-azulene-1-sulfonate Openeye Name: sodium 3-[4-(benzenesulfonamido)-4-oxo-butyl]-6-isopropyl-azulene-1-sulfonate CAS Name: sodium 3-[4-(benzenesulfonamido)-4-oxobutyl]-6-propan-2-yl-1-azulenesulfonate IUPAC Name: sodium 3-[4-(benzenesulfonamido)-4-oxobutyl]-6-propan-2-ylazulene-1-sulfonate Traditional Name: sodium 3-[4-(benzenesulfonamido)-4-keto-butyl]-6-isopropyl-azulene-1-sulfonate Formula: C23H24NNaO6S2 MolecularWeight: 497.55953

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO6S2.Na/c1-16(2)17-11-13-20-18(15-22(32(28,29)30)21(20)14-12-17)7-6-10-23(25)24-31(26,27)19-8-4-3-5-9-19;/h3-5,8-9,11-16H,6-7,10H2,1-2H3,(H,24,25)(H,28,29,30);/q;+1/p-1