ethyl 2-[4-[(4-nitrophenyl)sulfonyl-(thiophen-2-ylmethyl)amino]phenyl]ethanoate

Systemtic Name: ethyl 2-[4-[(4-nitrophenyl)sulfonyl-(thiophen-2-ylmethyl)amino]phenyl]ethanoate Openeye Name: ethyl 2-[4-[(4-nitrophenyl)sulfonyl-(2-thienylmethyl)amino]phenyl]acetate CAS Name: 2-[4-[(4-nitrophenyl)sulfonyl-(thiophen-2-ylmethyl)amino]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[(4-nitrophenyl)sulfonyl-(thiophen-2-ylmethyl)amino]phenyl]acetate Traditional Name: 2-[4-[nosyl(2-thenyl)amino]phenyl]acetic acid ethyl ester Formula: C21H20N2O6S2 MolecularWeight: 460.5233

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC=C(C=C1)N(CC2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC1=CC=C(C=C1)N(CC2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O6S2/c1-2-29-21(24)14-16-5-7-17(8-6-16)22(15-19-4-3-13-30-19)31(27,28)20-11-9-18(10-12-20)23(25)26/h3-13H,2,14-15H2,1H3