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

Systemtic Name: 1-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 1-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]ethanone Formula: C22H30N4O5S MolecularWeight: 462.5624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC(=O)C3=C(N(C(=C3)C)C(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC(=O)C3=C(N(C(=C3)C)C(C)C)C

InChI

InChI=1S/C22H30N4O5S/c1-15(2)25-17(4)12-20(18(25)5)21(27)14-23-8-10-24(11-9-23)32(30,31)22-13-19(26(28)29)7-6-16(22)3/h6-7,12-13,15H,8-11,14H2,1-5H3