tert-butyl 4-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonyl]piperazine-1-carboxylate CAS Name: 4-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonyl]piperazine-1-carboxylate Traditional Name: 4-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCN3C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCN3C

InChI

InChI=1S/C18H27N3O5S/c1-18(2,3)26-17(22)20-7-9-21(10-8-20)27(23,24)14-5-6-16-15(13-14)19(4)11-12-25-16/h5-6,13H,7-12H2,1-4H3