phenyl 4-(4-ethoxy-2-propyl-phenyl)piperazine-2-sulfonate

Systemtic Name: phenyl 4-(4-ethoxy-2-propyl-phenyl)piperazine-2-sulfonate Openeye Name: phenyl 4-(4-ethoxy-2-propyl-phenyl)piperazine-2-sulfonate CAS Name: 4-(4-ethoxy-2-propylphenyl)-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-(4-ethoxy-2-propylphenyl)piperazine-2-sulfonate Traditional Name: 4-(4-ethoxy-2-propyl-phenyl)piperazine-2-sulfonic acid phenyl ester Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)OCC)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CCCC1=C(C=CC(=C1)OCC)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C21H28N2O4S/c1-3-8-17-15-19(26-4-2)11-12-20(17)23-14-13-22-21(16-23)28(24,25)27-18-9-6-5-7-10-18/h5-7,9-12,15,21-22H,3-4,8,13-14,16H2,1-2H3