1-(4-methylphenyl)sulfonyl-4-[(2-phenyl-1,2,3-triazol-4-yl)methyl]-1,4-diazepane

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-[(2-phenyl-1,2,3-triazol-4-yl)methyl]-1,4-diazepane Openeye Name: 1-[(2-phenyltriazol-4-yl)methyl]-4-(p-tolylsulfonyl)-1,4-diazepane CAS Name: 1-(4-methylphenyl)sulfonyl-4-[(2-phenyl-4-triazolyl)methyl]-1,4-diazepane IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-[(2-phenyltriazol-4-yl)methyl]-1,4-diazepane Traditional Name: 1-[(2-phenyltriazol-4-yl)methyl]-4-tosyl-1,4-diazepane Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=NN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=NN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H25N5O2S/c1-18-8-10-21(11-9-18)29(27,28)25-13-5-12-24(14-15-25)17-19-16-22-26(23-19)20-6-3-2-4-7-20/h2-4,6-11,16H,5,12-15,17H2,1H3