butyl 4-[[1-(phenylsulfonyl)pyrrol-3-yl]sulfonylamino]benzoate

Systemtic Name: butyl 4-[[1-(phenylsulfonyl)pyrrol-3-yl]sulfonylamino]benzoate Openeye Name: butyl 4-[[1-(benzenesulfonyl)pyrrol-3-yl]sulfonylamino]benzoate CAS Name: 4-[[1-(benzenesulfonyl)-3-pyrrolyl]sulfonylamino]benzoic acid butyl ester IUPAC Name: butyl 4-[[1-(benzenesulfonyl)pyrrol-3-yl]sulfonylamino]benzoate Traditional Name: 4-[(1-besylpyrrol-3-yl)sulfonylamino]benzoic acid butyl ester Formula: C21H22N2O6S2 MolecularWeight: 462.53918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CN(C=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CN(C=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O6S2/c1-2-3-15-29-21(24)17-9-11-18(12-10-17)22-30(25,26)20-13-14-23(16-20)31(27,28)19-7-5-4-6-8-19/h4-14,16,22H,2-3,15H2,1H3