N-(3-chloranyl-4-methoxy-phenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide CAS Name: N-(3-chloro-4-methoxyphenyl)-3-[(4-methylsulfonyl-1-piperazinyl)methyl]benzamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-3-[(4-mesylpiperazino)methyl]benzamide Formula: C20H24ClN3O4S MolecularWeight: 437.94026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)CN3CCN(CC3)S(=O)(=O)C)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)CN3CCN(CC3)S(=O)(=O)C)Cl

InChI

InChI=1S/C20H24ClN3O4S/c1-28-19-7-6-17(13-18(19)21)22-20(25)16-5-3-4-15(12-16)14-23-8-10-24(11-9-23)29(2,26)27/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,25)