1-[(6-methylpyridin-2-yl)methyl]-4-(phenylmethyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-[(6-methylpyridin-2-yl)methyl]-4-(phenylmethyl)sulfonyl-1,4-diazepane Openeye Name: 1-benzylsulfonyl-4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(6-methyl-2-pyridinyl)methyl]-4-(phenylmethyl)sulfonyl-1,4-diazepane IUPAC Name: 1-benzylsulfonyl-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane Traditional Name: 1-benzylsulfonyl-4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane Formula: C19H25N3O2S MolecularWeight: 359.4857

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H25N3O2S/c1-17-7-5-10-19(20-17)15-21-11-6-12-22(14-13-21)25(23,24)16-18-8-3-2-4-9-18/h2-5,7-10H,6,11-16H2,1H3