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

Systemtic Name: [4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone Openeye Name: (4-isopropoxyphenyl)-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-(4-propan-2-yloxyphenyl)methanone IUPAC Name: [4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone Traditional Name: (4-isopropoxyphenyl)-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]methanone Formula: C21H25N3O6S MolecularWeight: 447.5047

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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)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6S/c1-15(2)30-19-8-5-17(6-9-19)21(25)22-10-12-23(13-11-22)31(28,29)20-14-18(24(26)27)7-4-16(20)3/h4-9,14-15H,10-13H2,1-3H3