[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone

Systemtic Name: [4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone Openeye Name: (4-isopropoxyphenyl)-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]-(4-propan-2-yloxyphenyl)methanone IUPAC Name: [4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone Traditional Name: (4-isopropoxyphenyl)-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]methanone Formula: C21H25N3O7S MolecularWeight: 463.5041

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O7S/c1-15(2)31-17-6-4-16(5-7-17)21(25)22-10-12-23(13-11-22)32(28,29)18-8-9-20(30-3)19(14-18)24(26)27/h4-9,14-15H,10-13H2,1-3H3