3,4-dimethyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide

Systemtic Name: 3,4-dimethyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide Openeye Name: 3,4-dimethyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide CAS Name: 3,4-dimethyl-N-[4-(4-methylsulfonyl-1-piperazinyl)phenyl]benzamide IUPAC Name: 3,4-dimethyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide Traditional Name: N-[4-(4-mesylpiperazino)phenyl]-3,4-dimethyl-benzamide Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C)C

InChI

InChI=1S/C20H25N3O3S/c1-15-4-5-17(14-16(15)2)20(24)21-18-6-8-19(9-7-18)22-10-12-23(13-11-22)27(3,25)26/h4-9,14H,10-13H2,1-3H3,(H,21,24)