(2-chloranyl-4-methylsulfonyl-phenyl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (2-chloranyl-4-methylsulfonyl-phenyl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (2-chloro-4-methylsulfonyl-phenyl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: (2-chloro-4-methylsulfonylphenyl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (2-chloro-4-methylsulfonylphenyl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (2-chloro-4-mesyl-phenyl)-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]methanone Formula: C21H25ClN2O5S2 MolecularWeight: 485.0166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O5S2/c1-30(26,27)17-6-4-16(5-7-17)15-23-10-3-11-24(13-12-23)21(25)19-9-8-18(14-20(19)22)31(2,28)29/h4-9,14H,3,10-13,15H2,1-2H3