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

Systemtic Name: methyl 3-[7-(phenylsulfonylamino)heptyl]-7-propan-2-yl-azulene-1-carboxylate Openeye Name: methyl 3-[7-(benzenesulfonamido)heptyl]-7-isopropyl-azulene-1-carboxylate CAS Name: 3-[7-(benzenesulfonamido)heptyl]-7-propan-2-yl-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-[7-(benzenesulfonamido)heptyl]-7-propan-2-ylazulene-1-carboxylate Traditional Name: 3-[7-(benzenesulfonamido)heptyl]-7-isopropyl-azulene-1-carboxylic acid methyl ester Formula: C28H35NO4S MolecularWeight: 481.6468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35NO4S/c1-21(2)22-14-12-17-25-23(20-27(26(25)19-22)28(30)33-3)13-8-5-4-6-11-18-29-34(31,32)24-15-9-7-10-16-24/h7,9-10,12,14-17,19-21,29H,4-6,8,11,13,18H2,1-3H3