1-(4-methylphenyl)sulfonyl-4-(pyridin-3-ylmethyl)-1,4-diazepane

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-(pyridin-3-ylmethyl)-1,4-diazepane Openeye Name: 1-(p-tolylsulfonyl)-4-(3-pyridylmethyl)-1,4-diazepane CAS Name: 1-(4-methylphenyl)sulfonyl-4-(3-pyridinylmethyl)-1,4-diazepane IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-(pyridin-3-ylmethyl)-1,4-diazepane Traditional Name: 1-(3-pyridylmethyl)-4-tosyl-1,4-diazepane Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CN=CC=C3

InChI

InChI=1S/C18H23N3O2S/c1-16-5-7-18(8-6-16)24(22,23)21-11-3-10-20(12-13-21)15-17-4-2-9-19-14-17/h2,4-9,14H,3,10-13,15H2,1H3