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

Systemtic Name: phenyl 4-(4-bromanyl-2-propyl-phenyl)piperazine-2-sulfonate Openeye Name: phenyl 4-(4-bromo-2-propyl-phenyl)piperazine-2-sulfonate CAS Name: 4-(4-bromo-2-propylphenyl)-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-(4-bromo-2-propylphenyl)piperazine-2-sulfonate Traditional Name: 4-(4-bromo-2-propyl-phenyl)piperazine-2-sulfonic acid phenyl ester Formula: C19H23BrN2O3S MolecularWeight: 439.36652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23BrN2O3S/c1-2-6-15-13-16(20)9-10-18(15)22-12-11-21-19(14-22)26(23,24)25-17-7-4-3-5-8-17/h3-5,7-10,13,19,21H,2,6,11-12,14H2,1H3