1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-4-(4-nitrophenyl)sulfonyl-piperazine

Systemtic Name: 1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-4-(4-nitrophenyl)sulfonyl-piperazine Openeye Name: 1-[(4-isobutoxy-3-methoxy-phenyl)methyl]-4-(4-nitrophenyl)sulfonyl-piperazine CAS Name: 1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-4-(4-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-4-(4-nitrophenyl)sulfonylpiperazine Traditional Name: 1-(4-isobutoxy-3-methoxy-benzyl)-4-nosyl-piperazine Formula: C22H29N3O6S MolecularWeight: 463.54716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C22H29N3O6S/c1-17(2)16-31-21-9-4-18(14-22(21)30-3)15-23-10-12-24(13-11-23)32(28,29)20-7-5-19(6-8-20)25(26)27/h4-9,14,17H,10-13,15-16H2,1-3H3