cesium (2S)-2-[(4-nitrophenyl)sulfonylamino]-4-oxidanylidene-4-[(triphenylmethyl)amino]butanoate

Systemtic Name: cesium (2S)-2-[(4-nitrophenyl)sulfonylamino]-4-oxidanylidene-4-[(triphenylmethyl)amino]butanoate Openeye Name: cesium (2S)-2-[(4-nitrophenyl)sulfonylamino]-4-oxo-4-(tritylamino)butanoate CAS Name: cesium (2S)-2-[(4-nitrophenyl)sulfonylamino]-4-oxo-4-[(triphenylmethyl)amino]butanoate IUPAC Name: cesium (2S)-2-[(4-nitrophenyl)sulfonylamino]-4-oxo-4-(tritylamino)butanoate Traditional Name: cesium (2S)-4-keto-2-(nosylamino)-4-(tritylamino)butyrate Formula: C29H24CsN3O7S MolecularWeight: 691.48721

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(=O)CC(C(=O)[O-])NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-].[Cs+]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(=O)C[C@@H](C(=O)[O-])NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-].[Cs+]

InChI

InChI=1S/C29H25N3O7S.Cs/c33-27(20-26(28(34)35)31-40(38,39)25-18-16-24(17-19-25)32(36)37)30-29(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23;/h1-19,26,31H,20H2,(H,30,33)(H,34,35);/q;+1/p-1/t26-;/m0./s1