3-(3-chloranyl-4-methyl-phenyl)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(3-chloranyl-4-methyl-phenyl)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(3-chloro-4-methyl-phenyl)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(3-chloro-4-methylphenyl)-1-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(3-chloro-4-methylphenyl)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(3-chloro-4-methyl-phenyl)-1-(4-p-phenetylsulfonylpiperazino)propan-1-one Formula: C22H27ClN2O4S MolecularWeight: 450.97878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC(=C(C=C3)C)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC(=C(C=C3)C)Cl

InChI

InChI=1S/C22H27ClN2O4S/c1-3-29-19-7-9-20(10-8-19)30(27,28)25-14-12-24(13-15-25)22(26)11-6-18-5-4-17(2)21(23)16-18/h4-5,7-10,16H,3,6,11-15H2,1-2H3