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

Systemtic Name: (4-chloranyl-2-methyl-phenyl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (4-chloro-2-methyl-phenyl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: (4-chloro-2-methylphenyl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (4-chloro-2-methylphenyl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (4-chloro-2-methyl-phenyl)-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]methanone Formula: C21H25ClN2O3S MolecularWeight: 420.9528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H25ClN2O3S/c1-16-14-18(22)6-9-20(16)21(25)24-11-3-10-23(12-13-24)15-17-4-7-19(8-5-17)28(2,26)27/h4-9,14H,3,10-13,15H2,1-2H3