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

Systemtic Name: 1-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 1-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(2-nitrophenyl)sulfonylpiperazino]ethanone Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O5S/c1-15(2)24-16(3)13-18(17(24)4)20(26)14-22-9-11-23(12-10-22)31(29,30)21-8-6-5-7-19(21)25(27)28/h5-8,13,15H,9-12,14H2,1-4H3