methyl 3-[5-(phenylsulfonylamino)pentyl]azulene-1-carboxylate

Systemtic Name: methyl 3-[5-(phenylsulfonylamino)pentyl]azulene-1-carboxylate Openeye Name: methyl 3-[5-(benzenesulfonamido)pentyl]azulene-1-carboxylate CAS Name: 3-[5-(benzenesulfonamido)pentyl]-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-[5-(benzenesulfonamido)pentyl]azulene-1-carboxylate Traditional Name: 3-[5-(benzenesulfonamido)pentyl]azulene-1-carboxylic acid methyl ester Formula: C23H25NO4S MolecularWeight: 411.5139

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO4S/c1-28-23(25)22-17-18(20-14-8-3-9-15-21(20)22)11-5-4-10-16-24-29(26,27)19-12-6-2-7-13-19/h2-3,6-9,12-15,17,24H,4-5,10-11,16H2,1H3