ethyl 4-[[2,5-dimethyl-1-(phenylsulfonyl)pyrrol-3-yl]sulfonylamino]benzoate

Systemtic Name: ethyl 4-[[2,5-dimethyl-1-(phenylsulfonyl)pyrrol-3-yl]sulfonylamino]benzoate Openeye Name: ethyl 4-[[1-(benzenesulfonyl)-2,5-dimethyl-pyrrol-3-yl]sulfonylamino]benzoate CAS Name: 4-[[1-(benzenesulfonyl)-2,5-dimethyl-3-pyrrolyl]sulfonylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(benzenesulfonyl)-2,5-dimethylpyrrol-3-yl]sulfonylamino]benzoate Traditional Name: 4-[(1-besyl-2,5-dimethyl-pyrrol-3-yl)sulfonylamino]benzoic acid ethyl ester Formula: C21H22N2O6S2 MolecularWeight: 462.53918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=C(N(C(=C2)C)S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=C(N(C(=C2)C)S(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C21H22N2O6S2/c1-4-29-21(24)17-10-12-18(13-11-17)22-30(25,26)20-14-15(2)23(16(20)3)31(27,28)19-8-6-5-7-9-19/h5-14,22H,4H2,1-3H3