1-(2,3-dimethylphenyl)-4-(4-pentoxy-3-propan-2-yl-phenyl)sulfonyl-piperazine

Systemtic Name: 1-(2,3-dimethylphenyl)-4-(4-pentoxy-3-propan-2-yl-phenyl)sulfonyl-piperazine Openeye Name: 1-(2,3-dimethylphenyl)-4-(3-isopropyl-4-pentoxy-phenyl)sulfonyl-piperazine CAS Name: 1-(2,3-dimethylphenyl)-4-(4-pentoxy-3-propan-2-ylphenyl)sulfonylpiperazine IUPAC Name: 1-(2,3-dimethylphenyl)-4-(4-pentoxy-3-propan-2-ylphenyl)sulfonylpiperazine Traditional Name: 1-(4-amoxy-3-isopropyl-phenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine Formula: C26H38N2O3S MolecularWeight: 458.65652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC(=C3C)C)C(C)C

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC(=C3C)C)C(C)C

InChI

InChI=1S/C26H38N2O3S/c1-6-7-8-18-31-26-13-12-23(19-24(26)20(2)3)32(29,30)28-16-14-27(15-17-28)25-11-9-10-21(4)22(25)5/h9-13,19-20H,6-8,14-18H2,1-5H3