N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-(5-cyclopropyl-2-phenyl-3-pyrazolyl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-(5-cyclopropyl-2-phenylpyrazol-3-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-(4-tosyl-1,4-diazepan-1-ium-1-yl)acetamide Formula: C26H32N5O3S+ MolecularWeight: 494.62898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)NC3=CC(=NN3C4=CC=CC=C4)C5CC5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)NC3=CC(=NN3C4=CC=CC=C4)C5CC5

InChI

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