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

Systemtic Name: 1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(4-benzylsulfonylpiperazin-1-yl)-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 1-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-yl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone Traditional Name: 2-(4-benzylsulfonylpiperazino)-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H29N3O3S/c1-4-24-17(2)14-20(18(24)3)21(25)15-22-10-12-23(13-11-22)28(26,27)16-19-8-6-5-7-9-19/h5-9,14H,4,10-13,15-16H2,1-3H3