tert-butyl 4-[3-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfonylamino]propyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfonylamino]propyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]propyl]piperazine-1-carboxylate CAS Name: 4-[3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]propyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]propyl]piperazine-1-carboxylate Traditional Name: 4-[3-[(3-keto-4H-1,4-benzoxazin-6-yl)sulfonylamino]propyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H30N4O6S MolecularWeight: 454.5404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CCCNS(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCCNS(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C20H30N4O6S/c1-20(2,3)30-19(26)24-11-9-23(10-12-24)8-4-7-21-31(27,28)15-5-6-17-16(13-15)22-18(25)14-29-17/h5-6,13,21H,4,7-12,14H2,1-3H3,(H,22,25)