(4-methoxyphenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone

Systemtic Name: (4-methoxyphenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Openeye Name: (4-methoxyphenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone CAS Name: (4-methoxyphenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone IUPAC Name: (4-methoxyphenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Traditional Name: (4-mesyl-1,4-diazepan-1-yl)-(4-methoxyphenyl)methanone Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CCCN(CC2)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CCCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C14H20N2O4S/c1-20-13-6-4-12(5-7-13)14(17)15-8-3-9-16(11-10-15)21(2,18)19/h4-7H,3,8-11H2,1-2H3