[3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-ethanoyl]amino]-4-oxidanylidene-azetidin-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-ethanoyl]amino]-4-oxidanylidene-azetidin-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [3-[[2-(tert-butoxycarbonylamino)-2-phenyl-acetyl]amino]-4-oxo-azetidin-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-2-phenylethyl]amino]-4-oxo-2-azetidinyl]methyl ester IUPAC Name: [3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]-4-oxoazetidin-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-[[2-(tert-butoxycarbonylamino)-2-phenyl-acetyl]amino]-4-keto-azetidin-2-yl]methyl ester Formula: C24H29N3O7S MolecularWeight: 503.56796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(=O)N2)NC(=O)C(C3=CC=CC=C3)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(=O)N2)NC(=O)C(C3=CC=CC=C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C24H29N3O7S/c1-15-10-12-17(13-11-15)35(31,32)33-14-18-20(22(29)25-18)26-21(28)19(16-8-6-5-7-9-16)27-23(30)34-24(2,3)4/h5-13,18-20H,14H2,1-4H3,(H,25,29)(H,26,28)(H,27,30)