[2-[1-(1-adamantyl)ethylamino]-2-oxidanylidene-ethyl] 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: [2-[1-(1-adamantyl)ethylamino]-2-oxidanylidene-ethyl] 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: [2-[1-(1-adamantyl)ethylamino]-2-oxo-ethyl] 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetic acid [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetic acid [2-[1-(1-adamantyl)ethylamino]-2-keto-ethyl] ester Formula: C25H35N3O6S MolecularWeight: 505.6269

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)CN(C)S(=O)(=O)C4=CC=C(C=C4)NC(=O)C

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)CN(C)S(=O)(=O)C4=CC=C(C=C4)NC(=O)C

InChI

InChI=1S/C25H35N3O6S/c1-16(25-11-18-8-19(12-25)10-20(9-18)13-25)26-23(30)15-34-24(31)14-28(3)35(32,33)22-6-4-21(5-7-22)27-17(2)29/h4-7,16,18-20H,8-15H2,1-3H3,(H,26,30)(H,27,29)