tert-butyl 4-[(6-chloranyl-2H-chromen-3-yl)sulfonyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(6-chloranyl-2H-chromen-3-yl)sulfonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(6-chloro-2H-chromen-3-yl)sulfonyl]piperazine-1-carboxylate CAS Name: 4-[(6-chloro-2H-1-benzopyran-3-yl)sulfonyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(6-chloro-2H-chromen-3-yl)sulfonyl]piperazine-1-carboxylate Traditional Name: 4-[(6-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(=C3)Cl)OC2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=CC(=C3)Cl)OC2

InChI

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