(3-methoxy-4-propan-2-yloxy-phenyl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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