(2-methyl-5-methylsulfonyl-phenyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (2-methyl-5-methylsulfonyl-phenyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-(2-methyl-5-methylsulfonyl-phenyl)methanone CAS Name: (2-methyl-5-methylsulfonylphenyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-(2-methyl-5-methylsulfonylphenyl)methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-(5-mesyl-2-methyl-phenyl)methanone Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-17-9-10-19(27(2,25)26)15-20(17)21(24)23-12-6-11-22(13-14-23)16-18-7-4-3-5-8-18/h3-5,7-10,15H,6,11-14,16H2,1-2H3