(2-methyl-5-methylsulfonyl-phenyl)-(4-phenethylpiperazin-1-yl)methanone

Systemtic Name: (2-methyl-5-methylsulfonyl-phenyl)-(4-phenethylpiperazin-1-yl)methanone Openeye Name: (2-methyl-5-methylsulfonyl-phenyl)-(4-phenethylpiperazin-1-yl)methanone CAS Name: (2-methyl-5-methylsulfonylphenyl)-(4-phenethyl-1-piperazinyl)methanone IUPAC Name: (2-methyl-5-methylsulfonylphenyl)-(4-phenethylpiperazin-1-yl)methanone Traditional Name: (5-mesyl-2-methyl-phenyl)-(4-phenethylpiperazino)methanone Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3S/c1-17-8-9-19(27(2,25)26)16-20(17)21(24)23-14-12-22(13-15-23)11-10-18-6-4-3-5-7-18/h3-9,16H,10-15H2,1-2H3