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

Systemtic Name: N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Openeye Name: N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide CAS Name: N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-4-[(4-methylsulfonyl-1-piperazinyl)methyl]benzamide IUPAC Name: N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Traditional Name: 4-[(4-mesylpiperazino)methyl]-N-(4-methoxy-3-piperidinosulfonyl-phenyl)benzamide Formula: C25H34N4O6S2 MolecularWeight: 550.69066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)C)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)C)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H34N4O6S2/c1-35-23-11-10-22(18-24(23)37(33,34)29-12-4-3-5-13-29)26-25(30)21-8-6-20(7-9-21)19-27-14-16-28(17-15-27)36(2,31)32/h6-11,18H,3-5,12-17,19H2,1-2H3,(H,26,30)