(1R,2S)-2-[[[[(4-methylphenyl)sulfonylamino]-nitro-methylidene]amino]methyl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid

Systemtic Name: (1R,2S)-2-[[[[(4-methylphenyl)sulfonylamino]-nitro-methylidene]amino]methyl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid Openeye Name: (1R,2S)-1-(tert-butoxycarbonylamino)-2-[[[nitro-(p-tolylsulfonylamino)methylene]amino]methyl]cyclopropanecarboxylic acid CAS Name: (1R,2S)-2-[[[[(4-methylphenyl)sulfonylamino]-nitromethylidene]amino]methyl]-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-cyclopropanecarboxylic acid IUPAC Name: (1R,2S)-2-[[[[(4-methylphenyl)sulfonylamino]-nitromethylidene]amino]methyl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid Traditional Name: (1R,2S)-1-(tert-butoxycarbonylamino)-2-[[[nitro-(tosylamino)methylene]amino]methyl]cyclopropanecarboxylic acid Formula: C18H24N4O8S MolecularWeight: 456.47016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=NCC2CC2(C(=O)O)NC(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=NC[C@@H]2C[C@@]2(C(=O)O)NC(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H24N4O8S/c1-11-5-7-13(8-6-11)31(28,29)21-15(22(26)27)19-10-12-9-18(12,14(23)24)20-16(25)30-17(2,3)4/h5-8,12H,9-10H2,1-4H3,(H,19,21)(H,20,25)(H,23,24)/t12-,18+/m0/s1