methyl 3-[6-(phenylsulfonylamino)hexyl]-6-propan-2-yl-azulene-1-carboxylate

Systemtic Name: methyl 3-[6-(phenylsulfonylamino)hexyl]-6-propan-2-yl-azulene-1-carboxylate Openeye Name: methyl 3-[6-(benzenesulfonamido)hexyl]-6-isopropyl-azulene-1-carboxylate CAS Name: 3-[6-(benzenesulfonamido)hexyl]-6-propan-2-yl-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-[6-(benzenesulfonamido)hexyl]-6-propan-2-ylazulene-1-carboxylate Traditional Name: 3-[6-(benzenesulfonamido)hexyl]-6-isopropyl-azulene-1-carboxylic acid methyl ester Formula: C27H33NO4S MolecularWeight: 467.62022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C2C(=C(C=C2CCCCCCNS(=O)(=O)C3=CC=CC=C3)C(=O)OC)C=C1

Isomeric SMILES

CC(C)C1=CC=C2C(=C(C=C2CCCCCCNS(=O)(=O)C3=CC=CC=C3)C(=O)OC)C=C1

InChI

InChI=1S/C27H33NO4S/c1-20(2)21-14-16-24-22(19-26(27(29)32-3)25(24)17-15-21)11-7-4-5-10-18-28-33(30,31)23-12-8-6-9-13-23/h6,8-9,12-17,19-20,28H,4-5,7,10-11,18H2,1-3H3