[2-[(3,5-diaminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-3-(4-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: [2-[(3,5-diaminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-3-(4-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: [2-(3,5-dicarbamoylanilino)-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-(3,5-dicarbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dicarbamoylanilino)-2-oxoethyl] 4-bromo-3-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-bromo-3-(4-methylpiperidino)sulfonyl-benzoic acid [2-(3,5-dicarbamoylanilino)-2-keto-ethyl] ester Formula: C23H25BrN4O7S MolecularWeight: 581.4362

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=CC(=CC(=C3)C(=O)N)C(=O)N)Br

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=CC(=CC(=C3)C(=O)N)C(=O)N)Br

InChI

InChI=1S/C23H25BrN4O7S/c1-13-4-6-28(7-5-13)36(33,34)19-11-14(2-3-18(19)24)23(32)35-12-20(29)27-17-9-15(21(25)30)8-16(10-17)22(26)31/h2-3,8-11,13H,4-7,12H2,1H3,(H2,25,30)(H2,26,31)(H,27,29)