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

Systemtic Name: methyl 2-[4-[2-[(3-ethyl-7-propan-2-yl-azulen-1-yl)sulfonylamino]ethyl]phenoxy]ethanoate Openeye Name: methyl 2-[4-[2-[(3-ethyl-7-isopropyl-azulen-1-yl)sulfonylamino]ethyl]phenoxy]acetate CAS Name: 2-[4-[2-[(3-ethyl-7-propan-2-yl-1-azulenyl)sulfonylamino]ethyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[2-[(3-ethyl-7-propan-2-ylazulen-1-yl)sulfonylamino]ethyl]phenoxy]acetate Traditional Name: 2-[4-[2-[(3-ethyl-7-isopropyl-azulen-1-yl)sulfonylamino]ethyl]phenoxy]acetic acid methyl ester Formula: C26H31NO5S MolecularWeight: 469.59304

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=CC=C(C=C2C(=C1)S(=O)(=O)NCCC3=CC=C(C=C3)OCC(=O)OC)C(C)C

Isomeric SMILES

CCC1=C2C=CC=C(C=C2C(=C1)S(=O)(=O)NCCC3=CC=C(C=C3)OCC(=O)OC)C(C)C

InChI

InChI=1S/C26H31NO5S/c1-5-20-16-25(24-15-21(18(2)3)7-6-8-23(20)24)33(29,30)27-14-13-19-9-11-22(12-10-19)32-17-26(28)31-4/h6-12,15-16,18,27H,5,13-14,17H2,1-4H3