N-[5-(2,3-dihydro-1H-inden-5-yl)-2-phenyl-pyrazol-3-yl]-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)ethanamide

Systemtic Name: N-[5-(2,3-dihydro-1H-inden-5-yl)-2-phenyl-pyrazol-3-yl]-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)ethanamide Openeye Name: N-(5-indan-5-yl-2-phenyl-pyrazol-3-yl)-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)acetamide CAS Name: N-[5-(2,3-dihydro-1H-inden-5-yl)-2-phenyl-3-pyrazolyl]-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)acetamide IUPAC Name: N-[5-(2,3-dihydro-1H-inden-5-yl)-2-phenylpyrazol-3-yl]-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)acetamide Traditional Name: N-(5-indan-5-yl-2-phenyl-pyrazol-3-yl)-2-(4-mesyl-1,4-diazepan-1-ium-1-yl)acetamide Formula: C26H32N5O3S+ MolecularWeight: 494.62898

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC[NH+](CC1)CC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4=CC5=C(CCC5)C=C4

Isomeric SMILES

CS(=O)(=O)N1CCC[NH+](CC1)CC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4=CC5=C(CCC5)C=C4

InChI

InChI=1S/C26H31N5O3S/c1-35(33,34)30-14-6-13-29(15-16-30)19-26(32)27-25-18-24(28-31(25)23-9-3-2-4-10-23)22-12-11-20-7-5-8-21(20)17-22/h2-4,9-12,17-18H,5-8,13-16,19H2,1H3,(H,27,32)/p+1