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

Systemtic Name: 3-[4-oxidanylidene-4-(phenylsulfonylamino)butyl]-6-propan-2-yl-azulene-1-sulfonic acid Openeye Name: 3-[4-(benzenesulfonamido)-4-oxo-butyl]-6-isopropyl-azulene-1-sulfonic acid CAS Name: 3-[4-(benzenesulfonamido)-4-oxobutyl]-6-propan-2-yl-1-azulenesulfonic acid IUPAC Name: 3-[4-(benzenesulfonamido)-4-oxobutyl]-6-propan-2-ylazulene-1-sulfonic acid Traditional Name: 3-[4-(benzenesulfonamido)-4-keto-butyl]-6-isopropyl-azulene-1-sulfonic acid Formula: C23H25NO6S2 MolecularWeight: 475.5777

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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

Isomeric SMILES

CC(C)C1=CC=C2C(=C(C=C2S(=O)(=O)O)CCCC(=O)NS(=O)(=O)C3=CC=CC=C3)C=C1

InChI

InChI=1S/C23H25NO6S2/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)