(2S)-2-(4-chloranylphenoxy)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: (2S)-2-(4-chloranylphenoxy)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: (2S)-2-(4-chlorophenoxy)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: (2S)-2-(4-chlorophenoxy)-1-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: (2S)-2-(4-chlorophenoxy)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: (2S)-2-(4-chlorophenoxy)-1-(4-p-phenetylsulfonylpiperazino)propan-1-one Formula: C21H25ClN2O5S MolecularWeight: 452.9516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C(C)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)[C@H](C)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN2O5S/c1-3-28-18-8-10-20(11-9-18)30(26,27)24-14-12-23(13-15-24)21(25)16(2)29-19-6-4-17(22)5-7-19/h4-11,16H,3,12-15H2,1-2H3/t16-/m0/s1