[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(4-methyl-3-methylsulfonyl-phenyl)methanone

Systemtic Name: [4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(4-methyl-3-methylsulfonyl-phenyl)methanone Openeye Name: [4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(4-methyl-3-methylsulfonyl-phenyl)methanone CAS Name: [4-[(4-methoxyphenyl)methyl]-1-piperazinyl]-(4-methyl-3-methylsulfonylphenyl)methanone IUPAC Name: [4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(4-methyl-3-methylsulfonylphenyl)methanone Traditional Name: (3-mesyl-4-methyl-phenyl)-(4-p-anisylpiperazino)methanone Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)OC)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)OC)S(=O)(=O)C

InChI

InChI=1S/C21H26N2O4S/c1-16-4-7-18(14-20(16)28(3,25)26)21(24)23-12-10-22(11-13-23)15-17-5-8-19(27-2)9-6-17/h4-9,14H,10-13,15H2,1-3H3