N-[(4-methylsulfonylphenyl)methyl]-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide

Systemtic Name: N-[(4-methylsulfonylphenyl)methyl]-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide Openeye Name: N-[(4-methylsulfonylphenyl)methyl]-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide CAS Name: N-[(4-methylsulfonylphenyl)methyl]-6-(3-phenyl-1-piperazinyl)-3-pyridinecarboxamide IUPAC Name: N-[(4-methylsulfonylphenyl)methyl]-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide Traditional Name: N-(4-mesylbenzyl)-6-(3-phenylpiperazino)nicotinamide Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CNC(=O)C2=CN=C(C=C2)N3CCNC(C3)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CNC(=O)C2=CN=C(C=C2)N3CCNC(C3)C4=CC=CC=C4

InChI

InChI=1S/C24H26N4O3S/c1-32(30,31)21-10-7-18(8-11-21)15-27-24(29)20-9-12-23(26-16-20)28-14-13-25-22(17-28)19-5-3-2-4-6-19/h2-12,16,22,25H,13-15,17H2,1H3,(H,27,29)