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

Systemtic Name: (2-chloranyl-4-nitro-phenyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (2-chloro-4-nitro-phenyl)-[4-(4-isopropylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (2-chloro-4-nitrophenyl)-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (2-chloro-4-nitrophenyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (2-chloro-4-nitro-phenyl)-(4-p-cumenylsulfonylpiperazino)methanone Formula: C20H22ClN3O5S MolecularWeight: 451.92378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O5S/c1-14(2)15-3-6-17(7-4-15)30(28,29)23-11-9-22(10-12-23)20(25)18-8-5-16(24(26)27)13-19(18)21/h3-8,13-14H,9-12H2,1-2H3