1-methyl-4-(phenylsulfonyl)-1,4-diazepane

Systemtic Name: 1-methyl-4-(phenylsulfonyl)-1,4-diazepane Openeye Name: 1-(benzenesulfonyl)-4-methyl-1,4-diazepane CAS Name: 1-(benzenesulfonyl)-4-methyl-1,4-diazepane IUPAC Name: 1-(benzenesulfonyl)-4-methyl-1,4-diazepane Traditional Name: 1-besyl-4-methyl-1,4-diazepane Formula: C12H18N2O2S MolecularWeight: 254.34852

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CN1CCCN(CC1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C12H18N2O2S/c1-13-8-5-9-14(11-10-13)17(15,16)12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3