(3S)-3-methyl-1-pyridin-2-ylsulfonyl-2,3,4,7-tetrahydroazepine

Systemtic Name: (3S)-3-methyl-1-pyridin-2-ylsulfonyl-2,3,4,7-tetrahydroazepine Openeye Name: (3S)-3-methyl-1-(2-pyridylsulfonyl)-2,3,4,7-tetrahydroazepine CAS Name: (3S)-3-methyl-1-(2-pyridinylsulfonyl)-2,3,4,7-tetrahydroazepine IUPAC Name: (3S)-3-methyl-1-pyridin-2-ylsulfonyl-2,3,4,7-tetrahydroazepine Traditional Name: (3S)-3-methyl-1-(2-pyridylsulfonyl)-2,3,4,7-tetrahydroazepine Formula: C12H16N2O2S MolecularWeight: 252.33264

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC=CCN(C1)S(=O)(=O)C2=CC=CC=N2

Isomeric SMILES

C[C@H]1CC=CCN(C1)S(=O)(=O)C2=CC=CC=N2

InChI

InChI=1S/C12H16N2O2S/c1-11-6-3-5-9-14(10-11)17(15,16)12-7-2-4-8-13-12/h2-5,7-8,11H,6,9-10H2,1H3/t11-/m0/s1