1-[2-(2,5-dimethylpyrrol-1-yl)-4-nitro-phenyl]-4-methylsulfonyl-piperazine

Systemtic Name: 1-[2-(2,5-dimethylpyrrol-1-yl)-4-nitro-phenyl]-4-methylsulfonyl-piperazine Openeye Name: 1-[2-(2,5-dimethylpyrrol-1-yl)-4-nitro-phenyl]-4-methylsulfonyl-piperazine CAS Name: 1-[2-(2,5-dimethyl-1-pyrrolyl)-4-nitrophenyl]-4-methylsulfonylpiperazine IUPAC Name: 1-[2-(2,5-dimethylpyrrol-1-yl)-4-nitrophenyl]-4-methylsulfonylpiperazine Traditional Name: 1-[2-(2,5-dimethylpyrrol-1-yl)-4-nitro-phenyl]-4-mesyl-piperazine Formula: C17H22N4O4S MolecularWeight: 378.44598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(C=CC(=C2)[N+](=O)[O-])N3CCN(CC3)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC=C(N1C2=C(C=CC(=C2)[N+](=O)[O-])N3CCN(CC3)S(=O)(=O)C)C

InChI

InChI=1S/C17H22N4O4S/c1-13-4-5-14(2)20(13)17-12-15(21(22)23)6-7-16(17)18-8-10-19(11-9-18)26(3,24)25/h4-7,12H,8-11H2,1-3H3