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

Systemtic Name: phenyl 4-(3-ethoxypiperazin-1-yl)-3-(phenylmethyl)benzenesulfonate Openeye Name: phenyl 3-benzyl-4-(3-ethoxypiperazin-1-yl)benzenesulfonate CAS Name: 4-(3-ethoxy-1-piperazinyl)-3-(phenylmethyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-benzyl-4-(3-ethoxypiperazin-1-yl)benzenesulfonate Traditional Name: 3-benzyl-4-(3-ethoxypiperazino)benzenesulfonic acid phenyl ester Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CN(CCN1)C2=C(C=C(C=C2)S(=O)(=O)OC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCOC1CN(CCN1)C2=C(C=C(C=C2)S(=O)(=O)OC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N2O4S/c1-2-30-25-19-27(16-15-26-25)24-14-13-23(18-21(24)17-20-9-5-3-6-10-20)32(28,29)31-22-11-7-4-8-12-22/h3-14,18,25-26H,2,15-17,19H2,1H3