phenyl 4-[5-ethyl-2-[(phenylmethyl)sulfonylamino]phenyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[5-ethyl-2-[(phenylmethyl)sulfonylamino]phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(benzylsulfonylamino)-5-ethyl-phenyl]piperazine-2-sulfonate CAS Name: 4-[5-ethyl-2-[(phenylmethyl)sulfonylamino]phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(benzylsulfonylamino)-5-ethylphenyl]piperazine-2-sulfonate Traditional Name: 4-[2-(benzylsulfonylamino)-5-ethyl-phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C25H29N3O5S2 MolecularWeight: 515.64486

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)NS(=O)(=O)CC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CCC1=CC(=C(C=C1)NS(=O)(=O)CC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O5S2/c1-2-20-13-14-23(27-34(29,30)19-21-9-5-3-6-10-21)24(17-20)28-16-15-26-25(18-28)35(31,32)33-22-11-7-4-8-12-22/h3-14,17,25-27H,2,15-16,18-19H2,1H3