(3S)-3-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]-3-(4-fluorophenyl)propanoate

Systemtic Name: (3S)-3-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]-3-(4-fluorophenyl)propanoate Openeye Name: (3S)-3-[(4-chloro-3-nitro-phenyl)sulfonylamino]-3-(4-fluorophenyl)propanoate CAS Name: (3S)-3-[(4-chloro-3-nitrophenyl)sulfonylamino]-3-(4-fluorophenyl)propanoate IUPAC Name: (3S)-3-[(4-chloro-3-nitrophenyl)sulfonylamino]-3-(4-fluorophenyl)propanoate Traditional Name: (3S)-3-[(4-chloro-3-nitro-phenyl)sulfonylamino]-3-(4-fluorophenyl)propionate Formula: C15H11ClFN2O6S- MolecularWeight: 401.774043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CC(=O)[O-])NS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1[C@H](CC(=O)[O-])NS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])F

InChI

InChI=1S/C15H12ClFN2O6S/c16-12-6-5-11(7-14(12)19(22)23)26(24,25)18-13(8-15(20)21)9-1-3-10(17)4-2-9/h1-7,13,18H,8H2,(H,20,21)/p-1/t13-/m0/s1