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

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-4-(4-pentoxy-3-propan-2-yl-phenyl)sulfonyl-piperazine Openeye Name: 1-(3-chloro-2-methyl-phenyl)-4-(3-isopropyl-4-pentoxy-phenyl)sulfonyl-piperazine CAS Name: 1-(3-chloro-2-methylphenyl)-4-(4-pentoxy-3-propan-2-ylphenyl)sulfonylpiperazine IUPAC Name: 1-(3-chloro-2-methylphenyl)-4-(4-pentoxy-3-propan-2-ylphenyl)sulfonylpiperazine Traditional Name: 1-(4-amoxy-3-isopropyl-phenyl)sulfonyl-4-(3-chloro-2-methyl-phenyl)piperazine Formula: C25H35ClN2O3S MolecularWeight: 479.075

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35ClN2O3S/c1-5-6-7-17-31-25-12-11-21(18-22(25)19(2)3)32(29,30)28-15-13-27(14-16-28)24-10-8-9-23(26)20(24)4/h8-12,18-19H,5-7,13-17H2,1-4H3