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

Systemtic Name: phenyl 5-[5-(1-ethylpyrrolidin-2-yl)-1H-pyrrol-2-yl]-4-methoxy-2-methyl-benzenesulfonate Openeye Name: phenyl 5-[5-(1-ethylpyrrolidin-2-yl)-1H-pyrrol-2-yl]-4-methoxy-2-methyl-benzenesulfonate CAS Name: 5-[5-(1-ethyl-2-pyrrolidinyl)-1H-pyrrol-2-yl]-4-methoxy-2-methylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 5-[5-(1-ethylpyrrolidin-2-yl)-1H-pyrrol-2-yl]-4-methoxy-2-methylbenzenesulfonate Traditional Name: 5-[5-(1-ethylpyrrolidin-2-yl)-1H-pyrrol-2-yl]-4-methoxy-2-methyl-benzenesulfonic acid phenyl ester Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1C2=CC=C(N2)C3=CC(=C(C=C3OC)C)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CCN1CCCC1C2=CC=C(N2)C3=CC(=C(C=C3OC)C)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C24H28N2O4S/c1-4-26-14-8-11-22(26)21-13-12-20(25-21)19-16-24(17(2)15-23(19)29-3)31(27,28)30-18-9-6-5-7-10-18/h5-7,9-10,12-13,15-16,22,25H,4,8,11,14H2,1-3H3