[2-(cyclooctylamino)-2-oxidanylidene-ethyl] 2-[4-[(4-acetamidophenyl)sulfonyl-methyl-amino]phenoxy]ethanoate

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 2-[4-[(4-acetamidophenyl)sulfonyl-methyl-amino]phenoxy]ethanoate Openeye Name: [2-(cyclooctylamino)-2-oxo-ethyl] 2-[4-[(4-acetamidophenyl)sulfonyl-methyl-amino]phenoxy]acetate CAS Name: 2-[4-[(4-acetamidophenyl)sulfonyl-methylamino]phenoxy]acetic acid [2-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-2-oxoethyl] 2-[4-[(4-acetamidophenyl)sulfonyl-methylamino]phenoxy]acetate Traditional Name: 2-[4-[(4-acetamidophenyl)sulfonyl-methyl-amino]phenoxy]acetic acid [2-(cyclooctylamino)-2-keto-ethyl] ester Formula: C27H35N3O7S MolecularWeight: 545.6477

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)OCC(=O)NC3CCCCCCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)OCC(=O)NC3CCCCCCC3

InChI

InChI=1S/C27H35N3O7S/c1-20(31)28-22-10-16-25(17-11-22)38(34,35)30(2)23-12-14-24(15-13-23)36-19-27(33)37-18-26(32)29-21-8-6-4-3-5-7-9-21/h10-17,21H,3-9,18-19H2,1-2H3,(H,28,31)(H,29,32)