2-(4-propoxyphenoxy)ethyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate

Systemtic Name: 2-(4-propoxyphenoxy)ethyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: 2-(4-propoxyphenoxy)ethyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetic acid 2-(4-propoxyphenoxy)ethyl ester IUPAC Name: 2-(4-propoxyphenoxy)ethyl 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetic acid 2-(4-propoxyphenoxy)ethyl ester Formula: C20H25N3O8S MolecularWeight: 467.4928

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)OCCOC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)OCCOC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O8S/c1-3-10-29-15-4-6-16(7-5-15)30-11-12-31-20(24)14-22-32(27,28)17-8-9-18(21-2)19(13-17)23(25)26/h4-9,13,21-22H,3,10-12,14H2,1-2H3