4-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide

Systemtic Name: 4-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide Openeye Name: 4-(p-tolylsulfonyl)-N-(3-pyridylmethyl)piperazine-1-carboxamide CAS Name: 4-(4-methylphenyl)sulfonyl-N-(3-pyridinylmethyl)-1-piperazinecarboxamide IUPAC Name: 4-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide Traditional Name: N-(3-pyridylmethyl)-4-tosyl-piperazine-1-carboxamide Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C18H22N4O3S/c1-15-4-6-17(7-5-15)26(24,25)22-11-9-21(10-12-22)18(23)20-14-16-3-2-8-19-13-16/h2-8,13H,9-12,14H2,1H3,(H,20,23)