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

Systemtic Name: (5-chloranyl-1,3-dimethyl-pyrazol-4-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (5-chloro-1,3-dimethyl-pyrazol-4-yl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (5-chloro-1,3-dimethyl-4-pyrazolyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (5-chloro-1,3-dimethylpyrazol-4-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (5-chloro-1,3-dimethyl-pyrazol-4-yl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C18H23ClN4O3S MolecularWeight: 410.91822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=C(N(N=C3C)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=C(N(N=C3C)C)Cl

InChI

InChI=1S/C18H23ClN4O3S/c1-13-5-7-15(8-6-13)27(25,26)23-10-4-9-22(11-12-23)18(24)16-14(2)20-21(3)17(16)19/h5-8H,4,9-12H2,1-3H3