methyl 6-(2-oxidanylpropan-2-yl)-3-[4-(phenylsulfonylamino)butyl]azulene-1-carboxylate

Systemtic Name: methyl 6-(2-oxidanylpropan-2-yl)-3-[4-(phenylsulfonylamino)butyl]azulene-1-carboxylate Openeye Name: methyl 3-[4-(benzenesulfonamido)butyl]-6-(1-hydroxy-1-methyl-ethyl)azulene-1-carboxylate CAS Name: 3-[4-(benzenesulfonamido)butyl]-6-(2-hydroxypropan-2-yl)-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(benzenesulfonamido)butyl]-6-(2-hydroxypropan-2-yl)azulene-1-carboxylate Traditional Name: 3-[4-(benzenesulfonamido)butyl]-6-(1-hydroxy-1-methyl-ethyl)azulene-1-carboxylic acid methyl ester Formula: C25H29NO5S MolecularWeight: 455.56646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C2C(=C(C=C2CCCCNS(=O)(=O)C3=CC=CC=C3)C(=O)OC)C=C1)O

Isomeric SMILES

CC(C)(C1=CC=C2C(=C(C=C2CCCCNS(=O)(=O)C3=CC=CC=C3)C(=O)OC)C=C1)O

InChI

InChI=1S/C25H29NO5S/c1-25(2,28)19-12-14-21-18(17-23(24(27)31-3)22(21)15-13-19)9-7-8-16-26-32(29,30)20-10-5-4-6-11-20/h4-6,10-15,17,26,28H,7-9,16H2,1-3H3