[4-(methylsulfonylmethyl)phenyl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: [4-(methylsulfonylmethyl)phenyl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-[4-(methylsulfonylmethyl)phenyl]methanone CAS Name: [4-(methylsulfonylmethyl)phenyl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-[4-(methylsulfonylmethyl)phenyl]methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-[4-(mesylmethyl)phenyl]methanone Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-27(25,26)17-19-8-10-20(11-9-19)21(24)23-13-5-12-22(14-15-23)16-18-6-3-2-4-7-18/h2-4,6-11H,5,12-17H2,1H3