1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane Openeye Name: 1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-4-(p-tolylsulfonyl)-1,4-diazepane CAS Name: 1-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-4-tosyl-1,4-diazepane Formula: C18H25ClN4O2S MolecularWeight: 396.9347

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=C(N(N=C3C)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=C(N(N=C3C)C)Cl

InChI

InChI=1S/C18H25ClN4O2S/c1-14-5-7-16(8-6-14)26(24,25)23-10-4-9-22(11-12-23)13-17-15(2)20-21(3)18(17)19/h5-8H,4,9-13H2,1-3H3