4-[2-[2-[butyl-(2-nitrophenyl)sulfonyl-amino]phenyl]ethyl]benzoic acid

Systemtic Name: 4-[2-[2-[butyl-(2-nitrophenyl)sulfonyl-amino]phenyl]ethyl]benzoic acid Openeye Name: 4-[2-[2-[butyl-(2-nitrophenyl)sulfonyl-amino]phenyl]ethyl]benzoic acid CAS Name: 4-[2-[2-[butyl-(2-nitrophenyl)sulfonylamino]phenyl]ethyl]benzoic acid IUPAC Name: 4-[2-[2-[butyl-(2-nitrophenyl)sulfonylamino]phenyl]ethyl]benzoic acid Traditional Name: 4-[2-[2-[butyl-(2-nitrophenyl)sulfonyl-amino]phenyl]ethyl]benzoic acid Formula: C25H26N2O6S MolecularWeight: 482.54874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=CC=C1CCC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCCN(C1=CC=CC=C1CCC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C25H26N2O6S/c1-2-3-18-26(34(32,33)24-11-7-6-10-23(24)27(30)31)22-9-5-4-8-20(22)15-12-19-13-16-21(17-14-19)25(28)29/h4-11,13-14,16-17H,2-3,12,15,18H2,1H3,(H,28,29)