3-[5-[[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]-methylsulfonyl-amino]methyl]-1,2-oxazol-3-yl]benzenecarboximidamide

Systemtic Name: 3-[5-[[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]-methylsulfonyl-amino]methyl]-1,2-oxazol-3-yl]benzenecarboximidamide Openeye Name: 3-[5-[[4-[(1-ethanimidoyl-4-piperidyl)oxy]-N-methylsulfonyl-anilino]methyl]isoxazol-3-yl]benzamidine CAS Name: 3-[5-[[4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-N-methylsulfonylanilino]methyl]-3-isoxazolyl]benzenecarboximidamide IUPAC Name: 3-[5-[[4-(1-ethanimidoylpiperidin-4-yl)oxy-N-methylsulfonylanilino]methyl]-1,2-oxazol-3-yl]benzenecarboximidamide Traditional Name: 3-[5-[[4-[(1-acetimidoyl-4-piperidyl)oxy]-N-mesyl-anilino]methyl]isoxazol-3-yl]benzamidine Formula: C25H30N6O4S MolecularWeight: 510.6085

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)N(CC3=CC(=NO3)C4=CC(=CC=C4)C(=N)N)S(=O)(=O)C

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)N(CC3=CC(=NO3)C4=CC(=CC=C4)C(=N)N)S(=O)(=O)C

InChI

InChI=1S/C25H30N6O4S/c1-17(26)30-12-10-22(11-13-30)34-21-8-6-20(7-9-21)31(36(2,32)33)16-23-15-24(29-35-23)18-4-3-5-19(14-18)25(27)28/h3-9,14-15,22,26H,10-13,16H2,1-2H3,(H3,27,28)