methyl 3-[5-(phenylsulfonylamino)pentyl]-6-propan-2-yl-azulene-1-carboxylate

Systemtic Name: methyl 3-[5-(phenylsulfonylamino)pentyl]-6-propan-2-yl-azulene-1-carboxylate Openeye Name: methyl 3-[5-(benzenesulfonamido)pentyl]-6-isopropyl-azulene-1-carboxylate CAS Name: 3-[5-(benzenesulfonamido)pentyl]-6-propan-2-yl-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-[5-(benzenesulfonamido)pentyl]-6-propan-2-ylazulene-1-carboxylate Traditional Name: 3-[5-(benzenesulfonamido)pentyl]-6-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=C2C(=C(C=C2CCCCCNS(=O)(=O)C3=CC=CC=C3)C(=O)OC)C=C1

Isomeric SMILES

CC(C)C1=CC=C2C(=C(C=C2CCCCCNS(=O)(=O)C3=CC=CC=C3)C(=O)OC)C=C1

InChI

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