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

Systemtic Name: 4-[(4-chloranyl-2-methylsulfonyl-phenyl)methyl]-1-(2-phenoxyethyl)-1,4-diazepan-5-one Openeye Name: 4-[(4-chloro-2-methylsulfonyl-phenyl)methyl]-1-(2-phenoxyethyl)-1,4-diazepan-5-one CAS Name: 4-[(4-chloro-2-methylsulfonylphenyl)methyl]-1-(2-phenoxyethyl)-1,4-diazepan-5-one IUPAC Name: 4-[(4-chloro-2-methylsulfonylphenyl)methyl]-1-(2-phenoxyethyl)-1,4-diazepan-5-one Traditional Name: 4-(4-chloro-2-mesyl-benzyl)-1-(2-phenoxyethyl)-1,4-diazepan-5-one Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)Cl)CN2CCN(CCC2=O)CCOC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)Cl)CN2CCN(CCC2=O)CCOC3=CC=CC=C3

InChI

InChI=1S/C21H25ClN2O4S/c1-29(26,27)20-15-18(22)8-7-17(20)16-24-12-11-23(10-9-21(24)25)13-14-28-19-5-3-2-4-6-19/h2-8,15H,9-14,16H2,1H3