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

Systemtic Name: 1-(2-methylphenyl)-4-(4-pentoxy-3-propan-2-yl-phenyl)sulfonyl-piperazine Openeye Name: 1-(3-isopropyl-4-pentoxy-phenyl)sulfonyl-4-(o-tolyl)piperazine CAS Name: 1-(2-methylphenyl)-4-(4-pentoxy-3-propan-2-ylphenyl)sulfonylpiperazine IUPAC Name: 1-(2-methylphenyl)-4-(4-pentoxy-3-propan-2-ylphenyl)sulfonylpiperazine Traditional Name: 1-(4-amoxy-3-isopropyl-phenyl)sulfonyl-4-(o-tolyl)piperazine Formula: C25H36N2O3S MolecularWeight: 444.62994

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O3S/c1-5-6-9-18-30-25-13-12-22(19-23(25)20(2)3)31(28,29)27-16-14-26(15-17-27)24-11-8-7-10-21(24)4/h7-8,10-13,19-20H,5-6,9,14-18H2,1-4H3