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

Systemtic Name: 3-[4-[(4-methylphenyl)sulfonylamino]butyl]-6-propan-2-yl-azulene-1-sulfonic acid Openeye Name: 6-isopropyl-3-[4-(p-tolylsulfonylamino)butyl]azulene-1-sulfonic acid CAS Name: 3-[4-[(4-methylphenyl)sulfonylamino]butyl]-6-propan-2-yl-1-azulenesulfonic acid IUPAC Name: 3-[4-[(4-methylphenyl)sulfonylamino]butyl]-6-propan-2-ylazulene-1-sulfonic acid Traditional Name: 6-isopropyl-3-[4-(tosylamino)butyl]azulene-1-sulfonic acid Formula: C24H29NO5S2 MolecularWeight: 475.62076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCCC2=C3C=CC(=CC=C3C(=C2)S(=O)(=O)O)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCCC2=C3C=CC(=CC=C3C(=C2)S(=O)(=O)O)C(C)C

InChI

InChI=1S/C24H29NO5S2/c1-17(2)19-9-13-22-20(16-24(32(28,29)30)23(22)14-10-19)6-4-5-15-25-31(26,27)21-11-7-18(3)8-12-21/h7-14,16-17,25H,4-6,15H2,1-3H3,(H,28,29,30)