phenyl 4-(3-chloranylpiperazin-1-yl)-3-propyl-benzenesulfonate

Systemtic Name: phenyl 4-(3-chloranylpiperazin-1-yl)-3-propyl-benzenesulfonate Openeye Name: phenyl 4-(3-chloropiperazin-1-yl)-3-propyl-benzenesulfonate CAS Name: 4-(3-chloro-1-piperazinyl)-3-propylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(3-chloropiperazin-1-yl)-3-propylbenzenesulfonate Traditional Name: 4-(3-chloropiperazino)-3-propyl-benzenesulfonic acid phenyl ester Formula: C19H23ClN2O3S MolecularWeight: 394.91552

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)Cl

Isomeric SMILES

CCCC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)Cl

InChI

InChI=1S/C19H23ClN2O3S/c1-2-6-15-13-17(26(23,24)25-16-7-4-3-5-8-16)9-10-18(15)22-12-11-21-19(20)14-22/h3-5,7-10,13,19,21H,2,6,11-12,14H2,1H3