[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-[4-(phenylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: [1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-[1-(2-furylmethyl)-2,5-dimethyl-pyrrol-3-yl]methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methanone Traditional Name: (4-besylpiperazino)-[1-(2-furfuryl)-2,5-dimethyl-pyrrol-3-yl]methanone Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O4S/c1-17-15-21(18(2)25(17)16-19-7-6-14-29-19)22(26)23-10-12-24(13-11-23)30(27,28)20-8-4-3-5-9-20/h3-9,14-15H,10-13,16H2,1-2H3