2-(2-methyl-4-pyrrolidin-1-ylsulfonyl-phenoxy)-1-[4-(phenylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(2-methyl-4-pyrrolidin-1-ylsulfonyl-phenoxy)-1-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanone CAS Name: 2-[2-methyl-4-(1-pyrrolidinylsulfonyl)phenoxy]-1-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)ethanone Traditional Name: 1-(4-benzylpiperazino)-2-(2-methyl-4-pyrrolidinosulfonyl-phenoxy)ethanone Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)OCC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)OCC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H31N3O4S/c1-20-17-22(32(29,30)27-11-5-6-12-27)9-10-23(20)31-19-24(28)26-15-13-25(14-16-26)18-21-7-3-2-4-8-21/h2-4,7-10,17H,5-6,11-16,18-19H2,1H3