(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone

Systemtic Name: (2,3-diphenyl-3,4-dihydropyrazol-5-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Openeye Name: (2,3-diphenyl-3,4-dihydropyrazol-5-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone CAS Name: (2,3-diphenyl-3,4-dihydropyrazol-5-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone IUPAC Name: (2,3-diphenyl-3,4-dihydropyrazol-5-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Traditional Name: (1,5-diphenyl-2-pyrazolin-3-yl)-(4-mesyl-1,4-diazepan-1-yl)methanone Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O3S/c1-30(28,29)25-14-8-13-24(15-16-25)22(27)20-17-21(18-9-4-2-5-10-18)26(23-20)19-11-6-3-7-12-19/h2-7,9-12,21H,8,13-17H2,1H3