[2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 2-[(4-ethanoylphenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 2-[(4-ethanoylphenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxo-ethyl] 2-[(4-acetylphenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-acetylphenyl)sulfonyl-methylamino]acetic acid [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-acetylphenyl)sulfonyl-methyl-amino]acetic acid [2-keto-2-[2-(3-methylphenoxy)ethylamino]ethyl] ester Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=O)COC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=O)COC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C22H26N2O7S/c1-16-5-4-6-19(13-16)30-12-11-23-21(26)15-31-22(27)14-24(3)32(28,29)20-9-7-18(8-10-20)17(2)25/h4-10,13H,11-12,14-15H2,1-3H3,(H,23,26)