1-(2-methylphenyl)-4-(3-methyl-4-propoxy-phenyl)sulfonyl-piperazine

Systemtic Name: 1-(2-methylphenyl)-4-(3-methyl-4-propoxy-phenyl)sulfonyl-piperazine Openeye Name: 1-(3-methyl-4-propoxy-phenyl)sulfonyl-4-(o-tolyl)piperazine CAS Name: 1-(2-methylphenyl)-4-(3-methyl-4-propoxyphenyl)sulfonylpiperazine IUPAC Name: 1-(2-methylphenyl)-4-(3-methyl-4-propoxyphenyl)sulfonylpiperazine Traditional Name: 1-(3-methyl-4-propoxy-phenyl)sulfonyl-4-(o-tolyl)piperazine Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3C)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3C)C

InChI

InChI=1S/C21H28N2O3S/c1-4-15-26-21-10-9-19(16-18(21)3)27(24,25)23-13-11-22(12-14-23)20-8-6-5-7-17(20)2/h5-10,16H,4,11-15H2,1-3H3