3-azanyl-7-(4-methylphenyl)sulfonyl-azepan-2-one

Systemtic Name: 3-azanyl-7-(4-methylphenyl)sulfonyl-azepan-2-one Openeye Name: 3-amino-7-(p-tolylsulfonyl)azepan-2-one CAS Name: 3-amino-7-(4-methylphenyl)sulfonyl-2-azepanone IUPAC Name: 3-amino-7-(4-methylphenyl)sulfonylazepan-2-one Traditional Name: 3-amino-7-tosyl-azepan-2-one Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2CCCC(C(=O)N2)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2CCCC(C(=O)N2)N

InChI

InChI=1S/C13H18N2O3S/c1-9-5-7-10(8-6-9)19(17,18)12-4-2-3-11(14)13(16)15-12/h5-8,11-12H,2-4,14H2,1H3,(H,15,16)