1-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-yl]-3-(3-oxidanylphenoxy)propan-1-one

Systemtic Name: 1-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-yl]-3-(3-oxidanylphenoxy)propan-1-one Openeye Name: 3-(3-hydroxyphenoxy)-1-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(3-hydroxyphenoxy)-1-[4-(2-methoxy-5-methylphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(3-hydroxyphenoxy)-1-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(3-hydroxyphenoxy)-1-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazino]propan-1-one Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C(=O)CCOC3=CC=CC(=C3)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C(=O)CCOC3=CC=CC(=C3)O

InChI

InChI=1S/C21H26N2O6S/c1-16-6-7-19(28-2)20(14-16)30(26,27)23-11-9-22(10-12-23)21(25)8-13-29-18-5-3-4-17(24)15-18/h3-7,14-15,24H,8-13H2,1-2H3