4-[(4-chloranyl-2-methylsulfonyl-phenyl)methyl]-1-(pyridin-3-ylmethyl)-1,4-diazepan-5-one

Systemtic Name: 4-[(4-chloranyl-2-methylsulfonyl-phenyl)methyl]-1-(pyridin-3-ylmethyl)-1,4-diazepan-5-one Openeye Name: 4-[(4-chloro-2-methylsulfonyl-phenyl)methyl]-1-(3-pyridylmethyl)-1,4-diazepan-5-one CAS Name: 4-[(4-chloro-2-methylsulfonylphenyl)methyl]-1-(3-pyridinylmethyl)-1,4-diazepan-5-one IUPAC Name: 4-[(4-chloro-2-methylsulfonylphenyl)methyl]-1-(pyridin-3-ylmethyl)-1,4-diazepan-5-one Traditional Name: 4-(4-chloro-2-mesyl-benzyl)-1-(3-pyridylmethyl)-1,4-diazepan-5-one Formula: C19H22ClN3O3S MolecularWeight: 407.91428

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)Cl)CN2CCN(CCC2=O)CC3=CN=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)Cl)CN2CCN(CCC2=O)CC3=CN=CC=C3

InChI

InChI=1S/C19H22ClN3O3S/c1-27(25,26)18-11-17(20)5-4-16(18)14-23-10-9-22(8-6-19(23)24)13-15-3-2-7-21-12-15/h2-5,7,11-12H,6,8-10,13-14H2,1H3