(4,5-dimethyl-2-pyrrol-1-yl-thiophen-3-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (4,5-dimethyl-2-pyrrol-1-yl-thiophen-3-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4,5-dimethyl-2-pyrrol-1-yl-3-thienyl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [4,5-dimethyl-2-(1-pyrrolyl)-3-thiophenyl]-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4,5-dimethyl-2-pyrrol-1-ylthiophen-3-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (4,5-dimethyl-2-pyrrol-1-yl-3-thienyl)-[4-(3-nitrophenyl)sulfonylpiperazino]methanone Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])N4C=CC=C4)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])N4C=CC=C4)C

InChI

InChI=1S/C21H22N4O5S2/c1-15-16(2)31-21(23-8-3-4-9-23)19(15)20(26)22-10-12-24(13-11-22)32(29,30)18-7-5-6-17(14-18)25(27)28/h3-9,14H,10-13H2,1-2H3