1-[3-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[3-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[3-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[3-[[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[3-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[3-[4-(2-methoxy-5-methyl-benzyl)piperazino]sulfonylphenyl]ethanone Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C21H26N2O4S/c1-16-7-8-21(27-3)19(13-16)15-22-9-11-23(12-10-22)28(25,26)20-6-4-5-18(14-20)17(2)24/h4-8,13-14H,9-12,15H2,1-3H3