phenyl 4-[2-(chloranylamino)-1-(3-chloranylpiperazin-1-yl)ethyl]benzenesulfonate

Systemtic Name: phenyl 4-[2-(chloranylamino)-1-(3-chloranylpiperazin-1-yl)ethyl]benzenesulfonate Openeye Name: phenyl 4-[2-(chloroamino)-1-(3-chloropiperazin-1-yl)ethyl]benzenesulfonate CAS Name: 4-[2-(chloroamino)-1-(3-chloro-1-piperazinyl)ethyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(chloroamino)-1-(3-chloropiperazin-1-yl)ethyl]benzenesulfonate Traditional Name: 4-[2-(chloroamino)-1-(3-chloropiperazino)ethyl]benzenesulfonic acid phenyl ester Formula: C18H21Cl2N3O3S MolecularWeight: 430.34864

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)Cl)C(CNCl)C2=CC=C(C=C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

C1CN(CC(N1)Cl)C(CNCl)C2=CC=C(C=C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C18H21Cl2N3O3S/c19-18-13-23(11-10-21-18)17(12-22-20)14-6-8-16(9-7-14)27(24,25)26-15-4-2-1-3-5-15/h1-9,17-18,21-22H,10-13H2