[2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 4-bromanyl-3-(4-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: [2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 4-bromanyl-3-(4-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: [2-(ethoxycarbonylamino)-2-oxo-ethyl] 4-bromo-3-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-bromo-3-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid [2-(ethoxycarbonylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethoxycarbonylamino)-2-oxoethyl] 4-bromo-3-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-bromo-3-(4-methylpiperidino)sulfonyl-benzoic acid [2-(carbethoxyamino)-2-keto-ethyl] ester Formula: C18H23BrN2O7S MolecularWeight: 491.35342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)COC(=O)C1=CC(=C(C=C1)Br)S(=O)(=O)N2CCC(CC2)C

Isomeric SMILES

CCOC(=O)NC(=O)COC(=O)C1=CC(=C(C=C1)Br)S(=O)(=O)N2CCC(CC2)C

InChI

InChI=1S/C18H23BrN2O7S/c1-3-27-18(24)20-16(22)11-28-17(23)13-4-5-14(19)15(10-13)29(25,26)21-8-6-12(2)7-9-21/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,20,22,24)