(3-methoxy-4-methyl-phenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone

Systemtic Name: (3-methoxy-4-methyl-phenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Openeye Name: (3-methoxy-4-methyl-phenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone CAS Name: (3-methoxy-4-methylphenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone IUPAC Name: (3-methoxy-4-methylphenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Traditional Name: (4-mesyl-1,4-diazepan-1-yl)-(3-methoxy-4-methyl-phenyl)methanone Formula: C15H22N2O4S MolecularWeight: 326.41118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)S(=O)(=O)C)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)S(=O)(=O)C)OC

InChI

InChI=1S/C15H22N2O4S/c1-12-5-6-13(11-14(12)21-2)15(18)16-7-4-8-17(10-9-16)22(3,19)20/h5-6,11H,4,7-10H2,1-3H3