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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H28N4O5S/c1-14(2)24-16(4)12-19(17(24)5)21(26)22-8-10-23(11-9-22)31(29,30)20-13-18(25(27)28)7-6-15(20)3/h6-7,12-14H,8-11H2,1-5H3