4-[3-[(3,4-dichlorophenyl)sulfonylamino]butyl]-6-propan-2-yl-azulene-1-sulfonic acid

Systemtic Name: 4-[3-[(3,4-dichlorophenyl)sulfonylamino]butyl]-6-propan-2-yl-azulene-1-sulfonic acid Openeye Name: 4-[3-[(3,4-dichlorophenyl)sulfonylamino]butyl]-6-isopropyl-azulene-1-sulfonic acid CAS Name: 4-[3-[(3,4-dichlorophenyl)sulfonylamino]butyl]-6-propan-2-yl-1-azulenesulfonic acid IUPAC Name: 4-[3-[(3,4-dichlorophenyl)sulfonylamino]butyl]-6-propan-2-ylazulene-1-sulfonic acid Traditional Name: 4-[3-[(3,4-dichlorophenyl)sulfonylamino]butyl]-6-isopropyl-azulene-1-sulfonic acid Formula: C23H25Cl2NO5S2 MolecularWeight: 530.4843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C2C=CC(=C2C=C1)S(=O)(=O)O)CCC(C)NS(=O)(=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)C1=CC(=C2C=CC(=C2C=C1)S(=O)(=O)O)CCC(C)NS(=O)(=O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C23H25Cl2NO5S2/c1-14(2)16-6-8-20-19(9-11-23(20)33(29,30)31)17(12-16)5-4-15(3)26-32(27,28)18-7-10-21(24)22(25)13-18/h6-15,26H,4-5H2,1-3H3,(H,29,30,31)