phenyl 3-(3-ethoxypiperazin-1-yl)-4-[(phenylmethyl)sulfonylamino]benzenesulfonate

Systemtic Name: phenyl 3-(3-ethoxypiperazin-1-yl)-4-[(phenylmethyl)sulfonylamino]benzenesulfonate Openeye Name: phenyl 4-(benzylsulfonylamino)-3-(3-ethoxypiperazin-1-yl)benzenesulfonate CAS Name: 3-(3-ethoxy-1-piperazinyl)-4-[(phenylmethyl)sulfonylamino]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(benzylsulfonylamino)-3-(3-ethoxypiperazin-1-yl)benzenesulfonate Traditional Name: 4-(benzylsulfonylamino)-3-(3-ethoxypiperazino)benzenesulfonic acid phenyl ester Formula: C25H29N3O6S2 MolecularWeight: 531.64426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O6S2/c1-2-33-25-18-28(16-15-26-25)24-17-22(36(31,32)34-21-11-7-4-8-12-21)13-14-23(24)27-35(29,30)19-20-9-5-3-6-10-20/h3-14,17,25-27H,2,15-16,18-19H2,1H3