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

Systemtic Name: 3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-1-(3-methoxyphenyl)propan-1-one hydrochloride Openeye Name: 3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-1-(3-methoxyphenyl)propan-1-one hydrochloride CAS Name: 3-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-1-(3-methoxyphenyl)-1-propanone hydrochloride IUPAC Name: 3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-1-(3-methoxyphenyl)propan-1-one hydrochloride Traditional Name: 1-(3-methoxyphenyl)-3-(4-p-phenetylsulfonylpiperazino)propan-1-one hydrochloride Formula: C22H29ClN2O5S MolecularWeight: 468.99406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5S.ClH/c1-3-29-19-7-9-21(10-8-19)30(26,27)24-15-13-23(14-16-24)12-11-22(25)18-5-4-6-20(17-18)28-2;/h4-10,17H,3,11-16H2,1-2H3;1H