phenyl 3-[5-[[ethyl-(phenylmethyl)amino]methyl]-1H-pyrrol-2-yl]-4-methoxy-benzenesulfonate

Systemtic Name: phenyl 3-[5-[[ethyl-(phenylmethyl)amino]methyl]-1H-pyrrol-2-yl]-4-methoxy-benzenesulfonate Openeye Name: phenyl 3-[5-[[benzyl(ethyl)amino]methyl]-1H-pyrrol-2-yl]-4-methoxy-benzenesulfonate CAS Name: 3-[5-[[ethyl-(phenylmethyl)amino]methyl]-1H-pyrrol-2-yl]-4-methoxybenzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-[5-[[benzyl(ethyl)amino]methyl]-1H-pyrrol-2-yl]-4-methoxybenzenesulfonate Traditional Name: 3-[5-[[benzyl(ethyl)amino]methyl]-1H-pyrrol-2-yl]-4-methoxy-benzenesulfonic acid phenyl ester Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)CC2=CC=C(N2)C3=C(C=CC(=C3)S(=O)(=O)OC4=CC=CC=C4)OC

Isomeric SMILES

CCN(CC1=CC=CC=C1)CC2=CC=C(N2)C3=C(C=CC(=C3)S(=O)(=O)OC4=CC=CC=C4)OC

InChI

InChI=1S/C27H28N2O4S/c1-3-29(19-21-10-6-4-7-11-21)20-22-14-16-26(28-22)25-18-24(15-17-27(25)32-2)34(30,31)33-23-12-8-5-9-13-23/h4-18,28H,3,19-20H2,1-2H3