[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-pyridin-2-yl-methanone

Systemtic Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-pyridin-2-yl-methanone Openeye Name: [4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]-(2-pyridyl)methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(2-pyridinyl)methanone IUPAC Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-pyridin-2-ylmethanone Traditional Name: 2-pyridyl-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3S/c1-15-6-8-16(9-7-15)25(23,24)21-12-4-11-20(13-14-21)18(22)17-5-2-3-10-19-17/h2-3,5-10H,4,11-14H2,1H3