methyl 2,2-dimethyl-3-[1-(phenylsulfonyl)pyrrol-2-yl]butanoate

Systemtic Name: methyl 2,2-dimethyl-3-[1-(phenylsulfonyl)pyrrol-2-yl]butanoate Openeye Name: methyl 3-[1-(benzenesulfonyl)pyrrol-2-yl]-2,2-dimethyl-butanoate CAS Name: 3-[1-(benzenesulfonyl)-2-pyrrolyl]-2,2-dimethylbutanoic acid methyl ester IUPAC Name: methyl 3-[1-(benzenesulfonyl)pyrrol-2-yl]-2,2-dimethylbutanoate Traditional Name: 3-(1-besylpyrrol-2-yl)-2,2-dimethyl-butyric acid methyl ester Formula: C17H21NO4S MolecularWeight: 335.41794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CN1S(=O)(=O)C2=CC=CC=C2)C(C)(C)C(=O)OC

Isomeric SMILES

CC(C1=CC=CN1S(=O)(=O)C2=CC=CC=C2)C(C)(C)C(=O)OC

InChI

InChI=1S/C17H21NO4S/c1-13(17(2,3)16(19)22-4)15-11-8-12-18(15)23(20,21)14-9-6-5-7-10-14/h5-13H,1-4H3