tert-butyl 4-[[4-(7-bromanyl-4-oxidanylidene-chromen-3-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-(7-bromanyl-4-oxidanylidene-chromen-3-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-(7-bromo-4-oxo-chromen-3-yl)sulfonyl-2-oxo-piperazin-1-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[4-[(7-bromo-4-oxo-1-benzopyran-3-yl)sulfonyl]-2-oxo-1-piperazinyl]amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(7-bromo-4-oxochromen-3-yl)sulfonyl-2-oxopiperazin-1-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[4-(7-bromo-4-keto-chromen-3-yl)sulfonyl-2-keto-piperazino]amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H29BrN4O7S MolecularWeight: 585.46796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)NN2CCN(CC2=O)S(=O)(=O)C3=COC4=C(C3=O)C=CC(=C4)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)NN2CCN(CC2=O)S(=O)(=O)C3=COC4=C(C3=O)C=CC(=C4)Br

InChI

InChI=1S/C23H29BrN4O7S/c1-23(2,3)35-22(31)26-8-6-16(7-9-26)25-28-11-10-27(13-20(28)29)36(32,33)19-14-34-18-12-15(24)4-5-17(18)21(19)30/h4-5,12,14,16,25H,6-11,13H2,1-3H3