[5-(4-chlorophenyl)-2-phenyl-pyrazol-3-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone

Systemtic Name: [5-(4-chlorophenyl)-2-phenyl-pyrazol-3-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Openeye Name: [5-(4-chlorophenyl)-2-phenyl-pyrazol-3-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone CAS Name: [5-(4-chlorophenyl)-2-phenyl-3-pyrazolyl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone IUPAC Name: [5-(4-chlorophenyl)-2-phenylpyrazol-3-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Traditional Name: [5-(4-chlorophenyl)-2-phenyl-pyrazol-3-yl]-(4-mesyl-1,4-diazepan-1-yl)methanone Formula: C22H23ClN4O3S MolecularWeight: 458.96102

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H23ClN4O3S/c1-31(29,30)26-13-5-12-25(14-15-26)22(28)21-16-20(17-8-10-18(23)11-9-17)24-27(21)19-6-3-2-4-7-19/h2-4,6-11,16H,5,12-15H2,1H3