1-[4-[2-methoxy-5-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-phenyl]piperazin-1-yl]-2-methyl-butan-1-one

Systemtic Name: 1-[4-[2-methoxy-5-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-phenyl]piperazin-1-yl]-2-methyl-butan-1-one Openeye Name: 1-[4-[5-[(4-benzyl-1-piperidyl)sulfonyl]-2-methoxy-phenyl]piperazin-1-yl]-2-methyl-butan-1-one CAS Name: 1-[4-[2-methoxy-5-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]phenyl]-1-piperazinyl]-2-methyl-1-butanone IUPAC Name: 1-[4-[5-(4-benzylpiperidin-1-yl)sulfonyl-2-methoxyphenyl]piperazin-1-yl]-2-methylbutan-1-one Traditional Name: 1-[4-[5-(4-benzylpiperidino)sulfonyl-2-methoxy-phenyl]piperazino]-2-methyl-butan-1-one Formula: C28H39N3O4S MolecularWeight: 513.69196

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)N1CCN(CC1)C2=C(C=CC(=C2)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4)OC

Isomeric SMILES

CCC(C)C(=O)N1CCN(CC1)C2=C(C=CC(=C2)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C28H39N3O4S/c1-4-22(2)28(32)30-18-16-29(17-19-30)26-21-25(10-11-27(26)35-3)36(33,34)31-14-12-24(13-15-31)20-23-8-6-5-7-9-23/h5-11,21-22,24H,4,12-20H2,1-3H3