phenyl 4-(ethoxysulfonylamino)-3-(3-oxidanylpiperazin-1-yl)benzenesulfonate

Systemtic Name: phenyl 4-(ethoxysulfonylamino)-3-(3-oxidanylpiperazin-1-yl)benzenesulfonate Openeye Name: phenyl 4-(ethoxysulfonylamino)-3-(3-hydroxypiperazin-1-yl)benzenesulfonate CAS Name: 4-(ethoxysulfonylamino)-3-(3-hydroxy-1-piperazinyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(ethoxysulfonylamino)-3-(3-hydroxypiperazin-1-yl)benzenesulfonate Traditional Name: 4-(ethoxysulfonylamino)-3-(3-hydroxypiperazino)benzenesulfonic acid phenyl ester Formula: C18H23N3O7S2 MolecularWeight: 457.52112

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)NC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)O

Isomeric SMILES

CCOS(=O)(=O)NC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)O

InChI

InChI=1S/C18H23N3O7S2/c1-2-27-30(25,26)20-16-9-8-15(12-17(16)21-11-10-19-18(22)13-21)29(23,24)28-14-6-4-3-5-7-14/h3-9,12,18-20,22H,2,10-11,13H2,1H3