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

Systemtic Name: [5-(furan-2-yl)-2-phenyl-pyrazol-3-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Openeye Name: [5-(2-furyl)-2-phenyl-pyrazol-3-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone CAS Name: [5-(2-furanyl)-2-phenyl-3-pyrazolyl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone IUPAC Name: [5-(furan-2-yl)-2-phenylpyrazol-3-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Traditional Name: [5-(2-furyl)-2-phenyl-pyrazol-3-yl]-(4-mesyl-1,4-diazepan-1-yl)methanone Formula: C20H22N4O4S MolecularWeight: 414.47808

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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=CO4

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C20H22N4O4S/c1-29(26,27)23-11-6-10-22(12-13-23)20(25)18-15-17(19-9-5-14-28-19)21-24(18)16-7-3-2-4-8-16/h2-5,7-9,14-15H,6,10-13H2,1H3