methyl 2-[4-[2-[(3-butyl-6-propan-2-yl-azulen-1-yl)sulfonylamino]ethyl]phenoxy]ethanoate

Systemtic Name: methyl 2-[4-[2-[(3-butyl-6-propan-2-yl-azulen-1-yl)sulfonylamino]ethyl]phenoxy]ethanoate Openeye Name: methyl 2-[4-[2-[(3-butyl-6-isopropyl-azulen-1-yl)sulfonylamino]ethyl]phenoxy]acetate CAS Name: 2-[4-[2-[(3-butyl-6-propan-2-yl-1-azulenyl)sulfonylamino]ethyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[2-[(3-butyl-6-propan-2-ylazulen-1-yl)sulfonylamino]ethyl]phenoxy]acetate Traditional Name: 2-[4-[2-[(3-butyl-6-isopropyl-azulen-1-yl)sulfonylamino]ethyl]phenoxy]acetic acid methyl ester Formula: C28H35NO5S MolecularWeight: 497.6462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C=CC(=CC=C2C(=C1)S(=O)(=O)NCCC3=CC=C(C=C3)OCC(=O)OC)C(C)C

Isomeric SMILES

CCCCC1=C2C=CC(=CC=C2C(=C1)S(=O)(=O)NCCC3=CC=C(C=C3)OCC(=O)OC)C(C)C

InChI

InChI=1S/C28H35NO5S/c1-5-6-7-23-18-27(26-15-11-22(20(2)3)10-14-25(23)26)35(31,32)29-17-16-21-8-12-24(13-9-21)34-19-28(30)33-4/h8-15,18,20,29H,5-7,16-17,19H2,1-4H3