2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridine-3-carboxamide

Systemtic Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridine-3-carboxamide Openeye Name: 2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-pyridinecarboxamide IUPAC Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridine-3-carboxamide Traditional Name: 2-(4-tosyl-1,4-diazepan-1-yl)nicotinamide Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=C(C=CC=N3)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=C(C=CC=N3)C(=O)N

InChI

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