(E,3R)-3-(3-cyanophenyl)-3-[(4-methylphenyl)sulfonylamino]-1-oxidanyl-1-[(4S)-2-oxidanylidene-4-(phenylmethyl)-1,3-oxazolidin-3-yl]prop-1-ene-2-diazonium

Systemtic Name: (E,3R)-3-(3-cyanophenyl)-3-[(4-methylphenyl)sulfonylamino]-1-oxidanyl-1-[(4S)-2-oxidanylidene-4-(phenylmethyl)-1,3-oxazolidin-3-yl]prop-1-ene-2-diazonium Openeye Name: (E,3R)-1-[(4S)-4-benzyl-2-oxo-oxazolidin-3-yl]-3-(3-cyanophenyl)-1-hydroxy-3-(p-tolylsulfonylamino)prop-1-ene-2-diazonium CAS Name: (E,3R)-3-(3-cyanophenyl)-1-hydroxy-3-[(4-methylphenyl)sulfonylamino]-1-[(4S)-2-oxo-4-(phenylmethyl)-3-oxazolidinyl]-1-propene-2-diazonium IUPAC Name: (E,3R)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-(3-cyanophenyl)-1-hydroxy-3-[(4-methylphenyl)sulfonylamino]prop-1-ene-2-diazonium Traditional Name: (E,3R)-1-[(4S)-4-benzyl-2-keto-oxazolidin-3-yl]-3-(3-cyanophenyl)-1-hydroxy-3-(tosylamino)prop-1-ene-2-diazonium Formula: C27H24N5O5S+ MolecularWeight: 530.57496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC(=C2)C#N)C(=C(N3C(COC3=O)CC4=CC=CC=C4)O)[N+]#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](C2=CC=CC(=C2)C#N)/C(=C(/N3[C@H](COC3=O)CC4=CC=CC=C4)\O)/[N+]#N

InChI

InChI=1S/C27H23N5O5S/c1-18-10-12-23(13-11-18)38(35,36)31-24(21-9-5-8-20(14-21)16-28)25(30-29)26(33)32-22(17-37-27(32)34)15-19-6-3-2-4-7-19/h2-14,22,24,31H,15,17H2,1H3/p+1/b26-25+/t22-,24+/m0/s1