3-[4-[(2-chlorophenyl)sulfonylamino]-3,3-dimethyl-butyl]-6-propan-2-yl-azulene-1-carboxylic acid

Systemtic Name: 3-[4-[(2-chlorophenyl)sulfonylamino]-3,3-dimethyl-butyl]-6-propan-2-yl-azulene-1-carboxylic acid Openeye Name: 3-[4-[(2-chlorophenyl)sulfonylamino]-3,3-dimethyl-butyl]-6-isopropyl-azulene-1-carboxylic acid CAS Name: 3-[4-[(2-chlorophenyl)sulfonylamino]-3,3-dimethylbutyl]-6-propan-2-yl-1-azulenecarboxylic acid IUPAC Name: 3-[4-[(2-chlorophenyl)sulfonylamino]-3,3-dimethylbutyl]-6-propan-2-ylazulene-1-carboxylic acid Traditional Name: 3-[4-[(2-chlorophenyl)sulfonylamino]-3,3-dimethyl-butyl]-6-isopropyl-azulene-1-carboxylic acid Formula: C26H30ClNO4S MolecularWeight: 488.0387

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C2C(=C(C=C2CCC(C)(C)CNS(=O)(=O)C3=CC=CC=C3Cl)C(=O)O)C=C1

Isomeric SMILES

CC(C)C1=CC=C2C(=C(C=C2CCC(C)(C)CNS(=O)(=O)C3=CC=CC=C3Cl)C(=O)O)C=C1

InChI

InChI=1S/C26H30ClNO4S/c1-17(2)18-9-11-20-19(15-22(25(29)30)21(20)12-10-18)13-14-26(3,4)16-28-33(31,32)24-8-6-5-7-23(24)27/h5-12,15,17,28H,13-14,16H2,1-4H3,(H,29,30)