2-(3-chloranyl-4-oxidanyl-phenyl)-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(3-chloranyl-4-oxidanyl-phenyl)-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(3-chloro-4-hydroxy-phenyl)-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]ethanone CAS Name: 2-(3-chloro-4-hydroxyphenyl)-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(3-chloro-4-hydroxyphenyl)-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(3-chloro-4-hydroxy-phenyl)-1-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]ethanone Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CC3=CC(=C(C=C3)O)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CC3=CC(=C(C=C3)O)Cl

InChI

InChI=1S/C21H25ClN2O4S/c1-29(27,28)18-6-3-16(4-7-18)15-23-9-2-10-24(12-11-23)21(26)14-17-5-8-20(25)19(22)13-17/h3-8,13,25H,2,9-12,14-15H2,1H3