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

Systemtic Name: tert-butyl 4-[[4-[(7-bromanyl-2H-chromen-3-yl)sulfonyl]-2-oxidanylidene-piperazin-1-yl]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-[(7-bromo-2H-chromen-3-yl)sulfonyl]-2-oxo-piperazin-1-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[4-[(7-bromo-2H-1-benzopyran-3-yl)sulfonyl]-2-oxo-1-piperazinyl]amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-[(7-bromo-2H-chromen-3-yl)sulfonyl]-2-oxopiperazin-1-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[4-[(7-bromo-2H-chromen-3-yl)sulfonyl]-2-keto-piperazino]amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H31BrN4O6S MolecularWeight: 571.48444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)NN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C(C=C4)Br)OC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)NN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C(C=C4)Br)OC3

InChI

InChI=1S/C23H31BrN4O6S/c1-23(2,3)34-22(30)26-8-6-18(7-9-26)25-28-11-10-27(14-21(28)29)35(31,32)19-12-16-4-5-17(24)13-20(16)33-15-19/h4-5,12-13,18,25H,6-11,14-15H2,1-3H3