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

Systemtic Name: N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Openeye Name: N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide CAS Name: N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-3-[(4-methylsulfonyl-1-piperazinyl)methyl]benzamide IUPAC Name: N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Traditional Name: 3-[(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(=CC=C2)CN3CCN(CC3)S(=O)(=O)C)S(=O)(=O)N4CCCCC4

Isomeric SMILES

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

InChI

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