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

Systemtic Name: [2-(cyclohexylamino)-2-oxidanylidene-ethyl] 2-[4-[(4-acetamidophenyl)sulfonyl-methyl-amino]phenoxy]ethanoate Openeye Name: [2-(cyclohexylamino)-2-oxo-ethyl] 2-[4-[(4-acetamidophenyl)sulfonyl-methyl-amino]phenoxy]acetate CAS Name: 2-[4-[(4-acetamidophenyl)sulfonyl-methylamino]phenoxy]acetic acid [2-(cyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylamino)-2-oxoethyl] 2-[4-[(4-acetamidophenyl)sulfonyl-methylamino]phenoxy]acetate Traditional Name: 2-[4-[(4-acetamidophenyl)sulfonyl-methyl-amino]phenoxy]acetic acid [2-(cyclohexylamino)-2-keto-ethyl] ester Formula: C25H31N3O7S MolecularWeight: 517.59454

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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)NC3CCCCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)OCC(=O)NC3CCCCC3

InChI

InChI=1S/C25H31N3O7S/c1-18(29)26-20-8-14-23(15-9-20)36(32,33)28(2)21-10-12-22(13-11-21)34-17-25(31)35-16-24(30)27-19-6-4-3-5-7-19/h8-15,19H,3-7,16-17H2,1-2H3,(H,26,29)(H,27,30)