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

Systemtic Name: 1-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-yl]-3-(2-oxidanylphenoxy)propan-1-one Openeye Name: 3-(2-hydroxyphenoxy)-1-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(2-hydroxyphenoxy)-1-[4-(2-methoxy-5-methylphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(2-hydroxyphenoxy)-1-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(2-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=C3O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C(=O)CCOC3=CC=CC=C3O

InChI

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