(2-chloranyl-4-methylsulfonyl-phenyl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=N3)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=N3)Cl

InChI

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