(3,5-dimethylphenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (3,5-dimethylphenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (3,5-dimethylphenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (3,5-dimethylphenyl)-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (3,5-dimethylphenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (3,5-dimethylphenyl)-(4-p-phenetylsulfonylpiperazino)methanone Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC(=C3)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC(=C3)C)C

InChI

InChI=1S/C21H26N2O4S/c1-4-27-19-5-7-20(8-6-19)28(25,26)23-11-9-22(10-12-23)21(24)18-14-16(2)13-17(3)15-18/h5-8,13-15H,4,9-12H2,1-3H3