phenyl 4-[4-methoxy-2-(2-methylpropyl)phenyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[4-methoxy-2-(2-methylpropyl)phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-(2-isobutyl-4-methoxy-phenyl)piperazine-2-sulfonate CAS Name: 4-[4-methoxy-2-(2-methylpropyl)phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[4-methoxy-2-(2-methylpropyl)phenyl]piperazine-2-sulfonate Traditional Name: 4-(2-isobutyl-4-methoxy-phenyl)piperazine-2-sulfonic acid phenyl ester Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=CC(=C1)OC)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)CC1=C(C=CC(=C1)OC)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C21H28N2O4S/c1-16(2)13-17-14-19(26-3)9-10-20(17)23-12-11-22-21(15-23)28(24,25)27-18-7-5-4-6-8-18/h4-10,14,16,21-22H,11-13,15H2,1-3H3