phenyl 3-[5-(1-ethylpyrrolidin-2-yl)-1H-pyrrol-2-yl]-4-methoxy-benzenesulfonate

Systemtic Name: phenyl 3-[5-(1-ethylpyrrolidin-2-yl)-1H-pyrrol-2-yl]-4-methoxy-benzenesulfonate Openeye Name: phenyl 3-[5-(1-ethylpyrrolidin-2-yl)-1H-pyrrol-2-yl]-4-methoxy-benzenesulfonate CAS Name: 3-[5-(1-ethyl-2-pyrrolidinyl)-1H-pyrrol-2-yl]-4-methoxybenzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-[5-(1-ethylpyrrolidin-2-yl)-1H-pyrrol-2-yl]-4-methoxybenzenesulfonate Traditional Name: 3-[5-(1-ethylpyrrolidin-2-yl)-1H-pyrrol-2-yl]-4-methoxy-benzenesulfonic acid phenyl ester Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4S/c1-3-25-15-7-10-22(25)21-13-12-20(24-21)19-16-18(11-14-23(19)28-2)30(26,27)29-17-8-5-4-6-9-17/h4-6,8-9,11-14,16,22,24H,3,7,10,15H2,1-2H3