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

Systemtic Name: phenyl 4-[4-(phenylmethyl)-2-propyl-phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-(4-benzyl-2-propyl-phenyl)piperazine-2-sulfonate CAS Name: 4-[4-(phenylmethyl)-2-propylphenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-(4-benzyl-2-propylphenyl)piperazine-2-sulfonate Traditional Name: 4-(4-benzyl-2-propyl-phenyl)piperazine-2-sulfonic acid phenyl ester Formula: C26H30N2O3S MolecularWeight: 450.593

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)CC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CCCC1=C(C=CC(=C1)CC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C26H30N2O3S/c1-2-9-23-19-22(18-21-10-5-3-6-11-21)14-15-25(23)28-17-16-27-26(20-28)32(29,30)31-24-12-7-4-8-13-24/h3-8,10-15,19,26-27H,2,9,16-18,20H2,1H3