tert-butyl 6-bromanyl-4-(phenylsulfonyl)spiro[3H-1,4-benzoxazine-2,1'-cyclopropane]-3-carboxylate

Systemtic Name: tert-butyl 6-bromanyl-4-(phenylsulfonyl)spiro[3H-1,4-benzoxazine-2,1'-cyclopropane]-3-carboxylate Openeye Name: tert-butyl 4-(benzenesulfonyl)-6-bromo-spiro[3H-1,4-benzoxazine-2,1'-cyclopropane]-3-carboxylate CAS Name: 4-(benzenesulfonyl)-6-bromo-3-spiro[3H-1,4-benzoxazine-2,1'-cyclopropane]carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(benzenesulfonyl)-6-bromospiro[3H-1,4-benzoxazine-2,1'-cyclopropane]-3-carboxylate Traditional Name: 4-besyl-6-bromo-spiro[3H-1,4-benzoxazine-2,1'-cyclopropane]-3-carboxylic acid tert-butyl ester Formula: C21H22BrNO5S MolecularWeight: 480.37208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C2(CC2)OC3=C(N1S(=O)(=O)C4=CC=CC=C4)C=C(C=C3)Br

Isomeric SMILES

CC(C)(C)OC(=O)C1C2(CC2)OC3=C(N1S(=O)(=O)C4=CC=CC=C4)C=C(C=C3)Br

InChI

InChI=1S/C21H22BrNO5S/c1-20(2,3)28-19(24)18-21(11-12-21)27-17-10-9-14(22)13-16(17)23(18)29(25,26)15-7-5-4-6-8-15/h4-10,13,18H,11-12H2,1-3H3