phenyl 4-[1-[4-(phenylmethyl)phenyl]-2-(propan-2-ylsulfonylamino)ethyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[1-[4-(phenylmethyl)phenyl]-2-(propan-2-ylsulfonylamino)ethyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[1-(4-benzylphenyl)-2-(isopropylsulfonylamino)ethyl]piperazine-2-sulfonate CAS Name: 4-[1-[4-(phenylmethyl)phenyl]-2-(propan-2-ylsulfonylamino)ethyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[1-(4-benzylphenyl)-2-(propan-2-ylsulfonylamino)ethyl]piperazine-2-sulfonate Traditional Name: 4-[1-(4-benzylphenyl)-2-(isopropylsulfonylamino)ethyl]piperazine-2-sulfonic acid phenyl ester Formula: C28H35N3O5S2 MolecularWeight: 557.7246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35N3O5S2/c1-22(2)37(32,33)30-20-27(25-15-13-24(14-16-25)19-23-9-5-3-6-10-23)31-18-17-29-28(21-31)38(34,35)36-26-11-7-4-8-12-26/h3-16,22,27-30H,17-21H2,1-2H3