[4-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-(4-propan-2-ylphenyl)methanone

Systemtic Name: [4-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-(4-propan-2-ylphenyl)methanone Openeye Name: [4-(3-chloro-4-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-(4-isopropylphenyl)methanone CAS Name: [4-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-(4-propan-2-ylphenyl)methanone IUPAC Name: [4-(3-chloro-4-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-(4-propan-2-ylphenyl)methanone Traditional Name: [4-(3-chloro-4-methyl-5-nitro-phenyl)sulfonylpiperazino]-p-cumenyl-methanone Formula: C21H24ClN3O5S MolecularWeight: 465.95036

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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=CC=C(C=C3)C(C)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O5S/c1-14(2)16-4-6-17(7-5-16)21(26)23-8-10-24(11-9-23)31(29,30)18-12-19(22)15(3)20(13-18)25(27)28/h4-7,12-14H,8-11H2,1-3H3