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

Systemtic Name: 1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-nosylpiperazino)ethanone Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O5S/c1-4-9-24-16(2)14-20(17(24)3)21(26)15-22-10-12-23(13-11-22)31(29,30)19-7-5-18(6-8-19)25(27)28/h4-8,14H,1,9-13,15H2,2-3H3