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

Systemtic Name: phenyl 4-methoxy-3-[5-[(2-phenylpiperidin-1-yl)methyl]-1H-pyrrol-2-yl]benzenesulfonate Openeye Name: phenyl 4-methoxy-3-[5-[(2-phenyl-1-piperidyl)methyl]-1H-pyrrol-2-yl]benzenesulfonate CAS Name: 4-methoxy-3-[5-[(2-phenyl-1-piperidinyl)methyl]-1H-pyrrol-2-yl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-methoxy-3-[5-[(2-phenylpiperidin-1-yl)methyl]-1H-pyrrol-2-yl]benzenesulfonate Traditional Name: 4-methoxy-3-[5-[(2-phenylpiperidino)methyl]-1H-pyrrol-2-yl]benzenesulfonic acid phenyl ester Formula: C29H30N2O4S MolecularWeight: 502.6245

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)C3=CC=C(N3)CN4CCCCC4C5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)C3=CC=C(N3)CN4CCCCC4C5=CC=CC=C5

InChI

InChI=1S/C29H30N2O4S/c1-34-29-18-16-25(36(32,33)35-24-12-6-3-7-13-24)20-26(29)27-17-15-23(30-27)21-31-19-9-8-14-28(31)22-10-4-2-5-11-22/h2-7,10-13,15-18,20,28,30H,8-9,14,19,21H2,1H3