(2-chloranylpyridin-3-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: (2-chloranylpyridin-3-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (2-chloro-3-pyridyl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (2-chloro-3-pyridinyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (2-chloropyridin-3-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (2-chloro-3-pyridyl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C18H20ClN3O3S MolecularWeight: 393.8877

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O3S/c1-14-5-7-15(8-6-14)26(24,25)22-11-3-10-21(12-13-22)18(23)16-4-2-9-20-17(16)19/h2,4-9H,3,10-13H2,1H3