1-(4-chlorophenyl)-3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one hydrochloride

Systemtic Name: 1-(4-chlorophenyl)-3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one hydrochloride Openeye Name: 1-(4-chlorophenyl)-3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one hydrochloride CAS Name: 1-(4-chlorophenyl)-3-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-1-propanone hydrochloride IUPAC Name: 1-(4-chlorophenyl)-3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one hydrochloride Traditional Name: 1-(4-chlorophenyl)-3-(4-p-phenetylsulfonylpiperazino)propan-1-one hydrochloride Formula: C21H26Cl2N2O4S MolecularWeight: 473.41314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC(=O)C3=CC=C(C=C3)Cl.Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC(=O)C3=CC=C(C=C3)Cl.Cl

InChI

InChI=1S/C21H25ClN2O4S.ClH/c1-2-28-19-7-9-20(10-8-19)29(26,27)24-15-13-23(14-16-24)12-11-21(25)17-3-5-18(22)6-4-17;/h3-10H,2,11-16H2,1H3;1H