tert-butyl 4-[(5-chloranyl-2H-chromen-3-yl)sulfonyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(5-chloranyl-2H-chromen-3-yl)sulfonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(5-chloro-2H-chromen-3-yl)sulfonyl]piperazine-1-carboxylate CAS Name: 4-[(5-chloro-2H-1-benzopyran-3-yl)sulfonyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(5-chloro-2H-chromen-3-yl)sulfonyl]piperazine-1-carboxylate Traditional Name: 4-[(5-chloro-2H-chromen-3-yl)sulfonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H23ClN2O5S MolecularWeight: 414.90362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=CC=C3Cl)OC2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=CC=C3Cl)OC2

InChI

InChI=1S/C18H23ClN2O5S/c1-18(2,3)26-17(22)20-7-9-21(10-8-20)27(23,24)13-11-14-15(19)5-4-6-16(14)25-12-13/h4-6,11H,7-10,12H2,1-3H3