phenyl 4-[2-(ethoxyamino)-1-[3-(phenylmethyl)piperazin-1-yl]ethyl]benzenesulfonate

Systemtic Name: phenyl 4-[2-(ethoxyamino)-1-[3-(phenylmethyl)piperazin-1-yl]ethyl]benzenesulfonate Openeye Name: phenyl 4-[1-(3-benzylpiperazin-1-yl)-2-(ethoxyamino)ethyl]benzenesulfonate CAS Name: 4-[2-(ethoxyamino)-1-[3-(phenylmethyl)-1-piperazinyl]ethyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[1-(3-benzylpiperazin-1-yl)-2-(ethoxyamino)ethyl]benzenesulfonate Traditional Name: 4-[1-(3-benzylpiperazino)-2-(ethoxyamino)ethyl]benzenesulfonic acid phenyl ester Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

CCONCC(C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)CC4=CC=CC=C4

Isomeric SMILES

CCONCC(C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H33N3O4S/c1-2-33-29-20-27(30-18-17-28-24(21-30)19-22-9-5-3-6-10-22)23-13-15-26(16-14-23)35(31,32)34-25-11-7-4-8-12-25/h3-16,24,27-29H,2,17-21H2,1H3