N-(4-chloranyl-2,5-dimethoxy-phenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-3-[(4-methylsulfonyl-1-piperazinyl)methyl]benzamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-3-[(4-mesylpiperazino)methyl]benzamide Formula: C21H26ClN3O5S MolecularWeight: 467.96624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2=CC(=CC=C2)CN3CCN(CC3)S(=O)(=O)C)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2=CC(=CC=C2)CN3CCN(CC3)S(=O)(=O)C)OC)Cl

InChI

InChI=1S/C21H26ClN3O5S/c1-29-19-13-18(20(30-2)12-17(19)22)23-21(26)16-6-4-5-15(11-16)14-24-7-9-25(10-8-24)31(3,27)28/h4-6,11-13H,7-10,14H2,1-3H3,(H,23,26)