phenyl 4-(3-methoxypiperazin-1-yl)-3-(phenylmethyl)benzenesulfonate

Systemtic Name: phenyl 4-(3-methoxypiperazin-1-yl)-3-(phenylmethyl)benzenesulfonate Openeye Name: phenyl 3-benzyl-4-(3-methoxypiperazin-1-yl)benzenesulfonate CAS Name: 4-(3-methoxy-1-piperazinyl)-3-(phenylmethyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-benzyl-4-(3-methoxypiperazin-1-yl)benzenesulfonate Traditional Name: 3-benzyl-4-(3-methoxypiperazino)benzenesulfonic acid phenyl ester Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CCN1)C2=C(C=C(C=C2)S(=O)(=O)OC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

COC1CN(CCN1)C2=C(C=C(C=C2)S(=O)(=O)OC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H26N2O4S/c1-29-24-18-26(15-14-25-24)23-13-12-22(17-20(23)16-19-8-4-2-5-9-19)31(27,28)30-21-10-6-3-7-11-21/h2-13,17,24-25H,14-16,18H2,1H3