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

Systemtic Name: phenyl 4-(3-chloranylpiperazin-1-yl)-3-ethyl-benzenesulfonate Openeye Name: phenyl 4-(3-chloropiperazin-1-yl)-3-ethyl-benzenesulfonate CAS Name: 4-(3-chloro-1-piperazinyl)-3-ethylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(3-chloropiperazin-1-yl)-3-ethylbenzenesulfonate Traditional Name: 4-(3-chloropiperazino)-3-ethyl-benzenesulfonic acid phenyl ester Formula: C18H21ClN2O3S MolecularWeight: 380.88894

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)Cl

Isomeric SMILES

CCC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)Cl

InChI

InChI=1S/C18H21ClN2O3S/c1-2-14-12-16(25(22,23)24-15-6-4-3-5-7-15)8-9-17(14)21-11-10-20-18(19)13-21/h3-9,12,18,20H,2,10-11,13H2,1H3