methyl 2-[4-[2-[(3-butyl-7-propan-2-yl-azulen-1-yl)sulfonylamino]ethyl]phenoxy]ethanoate

Systemtic Name: methyl 2-[4-[2-[(3-butyl-7-propan-2-yl-azulen-1-yl)sulfonylamino]ethyl]phenoxy]ethanoate Openeye Name: methyl 2-[4-[2-[(3-butyl-7-isopropyl-azulen-1-yl)sulfonylamino]ethyl]phenoxy]acetate CAS Name: 2-[4-[2-[(3-butyl-7-propan-2-yl-1-azulenyl)sulfonylamino]ethyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[2-[(3-butyl-7-propan-2-ylazulen-1-yl)sulfonylamino]ethyl]phenoxy]acetate Traditional Name: 2-[4-[2-[(3-butyl-7-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=C(C=C2C(=C1)S(=O)(=O)NCCC3=CC=C(C=C3)OCC(=O)OC)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H35NO5S/c1-5-6-8-23-18-27(26-17-22(20(2)3)9-7-10-25(23)26)35(31,32)29-16-15-21-11-13-24(14-12-21)34-19-28(30)33-4/h7,9-14,17-18,20,29H,5-6,8,15-16,19H2,1-4H3