1-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 1-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(4-benzylsulfonylpiperazin-1-yl)-1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 1-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-yl)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone Traditional Name: 2-(4-benzylsulfonylpiperazino)-1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H31N3O3S/c1-17(2)25-18(3)14-21(19(25)4)22(26)15-23-10-12-24(13-11-23)29(27,28)16-20-8-6-5-7-9-20/h5-9,14,17H,10-13,15-16H2,1-4H3