3-[3-[[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]-methylsulfonyl-amino]methyl]-5-methyl-pyrazol-1-yl]benzenecarboximidamide

Systemtic Name: 3-[3-[[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]-methylsulfonyl-amino]methyl]-5-methyl-pyrazol-1-yl]benzenecarboximidamide Openeye Name: 3-[3-[[4-[(1-ethanimidoyl-4-piperidyl)oxy]-N-methylsulfonyl-anilino]methyl]-5-methyl-pyrazol-1-yl]benzamidine CAS Name: 3-[3-[[4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-N-methylsulfonylanilino]methyl]-5-methyl-1-pyrazolyl]benzenecarboximidamide IUPAC Name: 3-[3-[[4-(1-ethanimidoylpiperidin-4-yl)oxy-N-methylsulfonylanilino]methyl]-5-methylpyrazol-1-yl]benzenecarboximidamide Traditional Name: 3-[3-[[4-[(1-acetimidoyl-4-piperidyl)oxy]-N-mesyl-anilino]methyl]-5-methyl-pyrazol-1-yl]benzamidine Formula: C26H33N7O3S MolecularWeight: 523.65032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=CC(=C2)C(=N)N)CN(C3=CC=C(C=C3)OC4CCN(CC4)C(=N)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=CC(=C2)C(=N)N)CN(C3=CC=C(C=C3)OC4CCN(CC4)C(=N)C)S(=O)(=O)C

InChI

InChI=1S/C26H33N7O3S/c1-18-15-21(30-33(18)23-6-4-5-20(16-23)26(28)29)17-32(37(3,34)35)22-7-9-24(10-8-22)36-25-11-13-31(14-12-25)19(2)27/h4-10,15-16,25,27H,11-14,17H2,1-3H3,(H3,28,29)