2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-(phenylmethyl)amino]ethylazanium

Systemtic Name: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-(phenylmethyl)amino]ethylazanium Openeye Name: 2-[benzyl-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]amino]ethylammonium CAS Name: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-(phenylmethyl)amino]ethylammonium IUPAC Name: 2-[benzyl-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]amino]ethylazanium Traditional Name: 2-[benzyl-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]amino]ethylammonium Formula: C14H21N4O2S+ MolecularWeight: 309.40714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)S(=O)(=O)N(CC[NH3+])CC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=NN1)C)S(=O)(=O)N(CC[NH3+])CC2=CC=CC=C2

InChI

InChI=1S/C14H20N4O2S/c1-11-14(12(2)17-16-11)21(19,20)18(9-8-15)10-13-6-4-3-5-7-13/h3-7H,8-10,15H2,1-2H3,(H,16,17)/p+1