methyl 3-[5-(phenylsulfonylamino)pentyl]-7-propan-2-yl-azulene-1-carboxylate

Systemtic Name: methyl 3-[5-(phenylsulfonylamino)pentyl]-7-propan-2-yl-azulene-1-carboxylate Openeye Name: methyl 3-[5-(benzenesulfonamido)pentyl]-7-isopropyl-azulene-1-carboxylate CAS Name: 3-[5-(benzenesulfonamido)pentyl]-7-propan-2-yl-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-[5-(benzenesulfonamido)pentyl]-7-propan-2-ylazulene-1-carboxylate Traditional Name: 3-[5-(benzenesulfonamido)pentyl]-7-isopropyl-azulene-1-carboxylic acid methyl ester Formula: C26H31NO4S MolecularWeight: 453.59364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31NO4S/c1-19(2)20-12-10-15-23-21(18-25(24(23)17-20)26(28)31-3)11-6-5-9-16-27-32(29,30)22-13-7-4-8-14-22/h4,7-8,10,12-15,17-19,27H,5-6,9,11,16H2,1-3H3