[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-piperazin-2-yl]methyl 4-methylbenzenesulfinate

Systemtic Name: [2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-piperazin-2-yl]methyl 4-methylbenzenesulfinate Openeye Name: [2-(tert-butoxycarbonylamino)-3-oxo-piperazin-2-yl]methyl 4-methylbenzenesulfinate CAS Name: 4-methylbenzenesulfinic acid [2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxo-2-piperazinyl]methyl ester IUPAC Name: [2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopiperazin-2-yl]methyl 4-methylbenzenesulfinate Traditional Name: 4-methylbenzenesulfinic acid [2-(tert-butoxycarbonylamino)-3-keto-piperazin-2-yl]methyl ester Formula: C17H25N3O5S MolecularWeight: 383.4625

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)OCC2(C(=O)NCCN2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)OCC2(C(=O)NCCN2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C17H25N3O5S/c1-12-5-7-13(8-6-12)26(23)24-11-17(14(21)18-9-10-19-17)20-15(22)25-16(2,3)4/h5-8,19H,9-11H2,1-4H3,(H,18,21)(H,20,22)