3-[3-(phenylsulfonylaminomethyl)phenyl]-6-propan-2-yl-azulene-1-carboxylic acid

Systemtic Name: 3-[3-(phenylsulfonylaminomethyl)phenyl]-6-propan-2-yl-azulene-1-carboxylic acid Openeye Name: 3-[3-(benzenesulfonamidomethyl)phenyl]-6-isopropyl-azulene-1-carboxylic acid CAS Name: 3-[3-(benzenesulfonamidomethyl)phenyl]-6-propan-2-yl-1-azulenecarboxylic acid IUPAC Name: 3-[3-(benzenesulfonamidomethyl)phenyl]-6-propan-2-ylazulene-1-carboxylic acid Traditional Name: 3-[3-(benzenesulfonamidomethyl)phenyl]-6-isopropyl-azulene-1-carboxylic acid Formula: C27H25NO4S MolecularWeight: 459.5567

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C2C(=C(C=C2C(=O)O)C3=CC(=CC=C3)CNS(=O)(=O)C4=CC=CC=C4)C=C1

Isomeric SMILES

CC(C)C1=CC=C2C(=C(C=C2C(=O)O)C3=CC(=CC=C3)CNS(=O)(=O)C4=CC=CC=C4)C=C1

InChI

InChI=1S/C27H25NO4S/c1-18(2)20-11-13-23-24(14-12-20)26(27(29)30)16-25(23)21-8-6-7-19(15-21)17-28-33(31,32)22-9-4-3-5-10-22/h3-16,18,28H,17H2,1-2H3,(H,29,30)