methyl 3-[4-(phenylsulfonylamino)butyl]azulene-1-carboxylate

Systemtic Name: methyl 3-[4-(phenylsulfonylamino)butyl]azulene-1-carboxylate Openeye Name: methyl 3-[4-(benzenesulfonamido)butyl]azulene-1-carboxylate CAS Name: 3-[4-(benzenesulfonamido)butyl]-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(benzenesulfonamido)butyl]azulene-1-carboxylate Traditional Name: 3-[4-(benzenesulfonamido)butyl]azulene-1-carboxylic acid methyl ester Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C2C1=CC=CC=C2)CCCCNS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=C2C1=CC=CC=C2)CCCCNS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H23NO4S/c1-27-22(24)21-16-17(19-13-6-3-7-14-20(19)21)10-8-9-15-23-28(25,26)18-11-4-2-5-12-18/h2-7,11-14,16,23H,8-10,15H2,1H3