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

Systemtic Name: 3-[2,2-dimethyl-4-(phenylsulfonylamino)butyl]-6-propan-2-yl-azulene-1-carboxylic acid Openeye Name: 3-[4-(benzenesulfonamido)-2,2-dimethyl-butyl]-6-isopropyl-azulene-1-carboxylic acid CAS Name: 3-[4-(benzenesulfonamido)-2,2-dimethylbutyl]-6-propan-2-yl-1-azulenecarboxylic acid IUPAC Name: 3-[4-(benzenesulfonamido)-2,2-dimethylbutyl]-6-propan-2-ylazulene-1-carboxylic acid Traditional Name: 3-[4-(benzenesulfonamido)-2,2-dimethyl-butyl]-6-isopropyl-azulene-1-carboxylic acid Formula: C26H31NO4S MolecularWeight: 453.59364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C2C(=C(C=C2CC(C)(C)CCNS(=O)(=O)C3=CC=CC=C3)C(=O)O)C=C1

Isomeric SMILES

CC(C)C1=CC=C2C(=C(C=C2CC(C)(C)CCNS(=O)(=O)C3=CC=CC=C3)C(=O)O)C=C1

InChI

InChI=1S/C26H31NO4S/c1-18(2)19-10-12-22-20(16-24(25(28)29)23(22)13-11-19)17-26(3,4)14-15-27-32(30,31)21-8-6-5-7-9-21/h5-13,16,18,27H,14-15,17H2,1-4H3,(H,28,29)