2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-(phenylsulfonyl)amino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]ethanamide

Systemtic Name: 2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-(phenylsulfonyl)amino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]ethanamide Openeye Name: 2-[benzenesulfonyl-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide CAS Name: 2-[benzenesulfonyl-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-N-[(1-methyl-4-piperidin-1-iumylidene)amino]acetamide IUPAC Name: 2-[benzenesulfonyl-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Traditional Name: 2-[besyl-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Formula: C25H31N6O4S+ MolecularWeight: 511.61644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(CC(=O)NN=C3CC[NH+](CC3)C)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(CC(=O)NN=C3CC[NH+](CC3)C)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H30N6O4S/c1-19-24(25(33)31(29(19)3)21-10-6-4-7-11-21)30(36(34,35)22-12-8-5-9-13-22)18-23(32)27-26-20-14-16-28(2)17-15-20/h4-13H,14-18H2,1-3H3,(H,27,32)/p+1