phenyl 4-methoxy-2-methyl-5-(1H-pyrrol-2-yl)benzenesulfonate

Systemtic Name: phenyl 4-methoxy-2-methyl-5-(1H-pyrrol-2-yl)benzenesulfonate Openeye Name: phenyl 4-methoxy-2-methyl-5-(1H-pyrrol-2-yl)benzenesulfonate CAS Name: 4-methoxy-2-methyl-5-(1H-pyrrol-2-yl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-methoxy-2-methyl-5-(1H-pyrrol-2-yl)benzenesulfonate Traditional Name: 4-methoxy-2-methyl-5-(1H-pyrrol-2-yl)benzenesulfonic acid phenyl ester Formula: C18H17NO4S MolecularWeight: 343.39688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)OC)C2=CC=CN2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C(=C1)OC)C2=CC=CN2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C18H17NO4S/c1-13-11-17(22-2)15(16-9-6-10-19-16)12-18(13)24(20,21)23-14-7-4-3-5-8-14/h3-12,19H,1-2H3