ethyl 4-[(6-tert-butyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)carbonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(6-tert-butyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-(6-tert-butyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)piperazine-1-carboxylate CAS Name: 4-[(6-tert-butyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(6-tert-butyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(6-tert-butyl-4-mesyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)piperazine-1-carboxylic acid ethyl ester Formula: C21H31N3O6S MolecularWeight: 453.55234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CN(C3=C(O2)C=CC(=C3)C(C)(C)C)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2CN(C3=C(O2)C=CC(=C3)C(C)(C)C)S(=O)(=O)C

InChI

InChI=1S/C21H31N3O6S/c1-6-29-20(26)23-11-9-22(10-12-23)19(25)18-14-24(31(5,27)28)16-13-15(21(2,3)4)7-8-17(16)30-18/h7-8,13,18H,6,9-12,14H2,1-5H3