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

Systemtic Name: phenyl 4-[2-ethyl-4-(phenylmethyl)phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-(4-benzyl-2-ethyl-phenyl)piperazine-2-sulfonate CAS Name: 4-[2-ethyl-4-(phenylmethyl)phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-(4-benzyl-2-ethylphenyl)piperazine-2-sulfonate Traditional Name: 4-(4-benzyl-2-ethyl-phenyl)piperazine-2-sulfonic acid phenyl ester Formula: C25H28N2O3S MolecularWeight: 436.56642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O3S/c1-2-22-18-21(17-20-9-5-3-6-10-20)13-14-24(22)27-16-15-26-25(19-27)31(28,29)30-23-11-7-4-8-12-23/h3-14,18,25-26H,2,15-17,19H2,1H3