3-[5-[(4-chlorophenyl)sulfonylamino]pentan-2-yl]-6-propan-2-yl-azulene-1-sulfonic acid

Systemtic Name: 3-[5-[(4-chlorophenyl)sulfonylamino]pentan-2-yl]-6-propan-2-yl-azulene-1-sulfonic acid Openeye Name: 3-[4-[(4-chlorophenyl)sulfonylamino]-1-methyl-butyl]-6-isopropyl-azulene-1-sulfonic acid CAS Name: 3-[5-[(4-chlorophenyl)sulfonylamino]pentan-2-yl]-6-propan-2-yl-1-azulenesulfonic acid IUPAC Name: 3-[5-[(4-chlorophenyl)sulfonylamino]pentan-2-yl]-6-propan-2-ylazulene-1-sulfonic acid Traditional Name: 3-[4-[(4-chlorophenyl)sulfonylamino]-1-methyl-butyl]-6-isopropyl-azulene-1-sulfonic acid Formula: C24H28ClNO5S2 MolecularWeight: 510.06582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C2C(=C(C=C2S(=O)(=O)O)C(C)CCCNS(=O)(=O)C3=CC=C(C=C3)Cl)C=C1

Isomeric SMILES

CC(C)C1=CC=C2C(=C(C=C2S(=O)(=O)O)C(C)CCCNS(=O)(=O)C3=CC=C(C=C3)Cl)C=C1

InChI

InChI=1S/C24H28ClNO5S2/c1-16(2)18-6-12-21-22(13-7-18)24(33(29,30)31)15-23(21)17(3)5-4-14-26-32(27,28)20-10-8-19(25)9-11-20/h6-13,15-17,26H,4-5,14H2,1-3H3,(H,29,30,31)