1-[4-methoxy-3-[[4-(phenylmethyl)sulfonylpiperazin-1-yl]methyl]phenyl]ethanone

Systemtic Name: 1-[4-methoxy-3-[[4-(phenylmethyl)sulfonylpiperazin-1-yl]methyl]phenyl]ethanone Openeye Name: 1-[3-[(4-benzylsulfonylpiperazin-1-yl)methyl]-4-methoxy-phenyl]ethanone CAS Name: 1-[4-methoxy-3-[[4-(phenylmethyl)sulfonyl-1-piperazinyl]methyl]phenyl]ethanone IUPAC Name: 1-[3-[(4-benzylsulfonylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone Traditional Name: 1-[3-[(4-benzylsulfonylpiperazino)methyl]-4-methoxy-phenyl]ethanone Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O4S/c1-17(24)19-8-9-21(27-2)20(14-19)15-22-10-12-23(13-11-22)28(25,26)16-18-6-4-3-5-7-18/h3-9,14H,10-13,15-16H2,1-2H3