N-[1-(3,4-dimethylphenyl)ethyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide

Systemtic Name: N-[1-(3,4-dimethylphenyl)ethyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Openeye Name: N-[1-(3,4-dimethylphenyl)ethyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide CAS Name: N-[1-(3,4-dimethylphenyl)ethyl]-3-[(4-methylsulfonyl-1-piperazinyl)methyl]benzamide IUPAC Name: N-[1-(3,4-dimethylphenyl)ethyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Traditional Name: N-[1-(3,4-dimethylphenyl)ethyl]-3-[(4-mesylpiperazino)methyl]benzamide Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)NC(=O)C2=CC(=CC=C2)CN3CCN(CC3)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)NC(=O)C2=CC(=CC=C2)CN3CCN(CC3)S(=O)(=O)C)C

InChI

InChI=1S/C23H31N3O3S/c1-17-8-9-21(14-18(17)2)19(3)24-23(27)22-7-5-6-20(15-22)16-25-10-12-26(13-11-25)30(4,28)29/h5-9,14-15,19H,10-13,16H2,1-4H3,(H,24,27)