phenyl 4-[2-(ethoxyamino)-1-(4-phenoxysulfonylphenyl)ethyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[2-(ethoxyamino)-1-(4-phenoxysulfonylphenyl)ethyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(ethoxyamino)-1-(4-phenoxysulfonylphenyl)ethyl]piperazine-2-sulfonate CAS Name: 4-[2-(ethoxyamino)-1-(4-phenoxysulfonylphenyl)ethyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(ethoxyamino)-1-(4-phenoxysulfonylphenyl)ethyl]piperazine-2-sulfonate Traditional Name: 4-[2-(ethoxyamino)-1-(4-phenoxysulfonylphenyl)ethyl]piperazine-2-sulfonic acid phenyl ester Formula: C26H31N3O7S2 MolecularWeight: 561.67024

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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)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CCONCC(C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O7S2/c1-2-34-28-19-25(21-13-15-24(16-14-21)37(30,31)35-22-9-5-3-6-10-22)29-18-17-27-26(20-29)38(32,33)36-23-11-7-4-8-12-23/h3-16,25-28H,2,17-20H2,1H3