methyl 3-[6-(phenylsulfonylamino)hexyl]-7-propan-2-yl-azulene-1-carboxylate

Systemtic Name: methyl 3-[6-(phenylsulfonylamino)hexyl]-7-propan-2-yl-azulene-1-carboxylate Openeye Name: methyl 3-[6-(benzenesulfonamido)hexyl]-7-isopropyl-azulene-1-carboxylate CAS Name: 3-[6-(benzenesulfonamido)hexyl]-7-propan-2-yl-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-[6-(benzenesulfonamido)hexyl]-7-propan-2-ylazulene-1-carboxylate Traditional Name: 3-[6-(benzenesulfonamido)hexyl]-7-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=CC2=C(C=C(C2=C1)C(=O)OC)CCCCCCNS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=CC2=C(C=C(C2=C1)C(=O)OC)CCCCCCNS(=O)(=O)C3=CC=CC=C3

InChI

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