[4-(2-methyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]-(4-propan-2-ylphenyl)methanone

Systemtic Name: [4-(2-methyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]-(4-propan-2-ylphenyl)methanone Openeye Name: (4-isopropylphenyl)-[4-(2-methyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [4-(2-methyl-3-nitrophenyl)sulfonyl-1-piperazinyl]-(4-propan-2-ylphenyl)methanone IUPAC Name: [4-(2-methyl-3-nitrophenyl)sulfonylpiperazin-1-yl]-(4-propan-2-ylphenyl)methanone Traditional Name: [4-(2-methyl-3-nitro-phenyl)sulfonylpiperazino]-p-cumenyl-methanone Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5S/c1-15(2)17-7-9-18(10-8-17)21(25)22-11-13-23(14-12-22)30(28,29)20-6-4-5-19(16(20)3)24(26)27/h4-10,15H,11-14H2,1-3H3