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

Systemtic Name: 3-[3-[[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]-methylsulfonyl-amino]methyl]phenyl]benzenecarboximidamide Openeye Name: 3-[3-[[4-[(1-ethanimidoyl-4-piperidyl)oxy]-N-methylsulfonyl-anilino]methyl]phenyl]benzamidine CAS Name: 3-[3-[[4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-N-methylsulfonylanilino]methyl]phenyl]benzenecarboximidamide IUPAC Name: 3-[3-[[4-(1-ethanimidoylpiperidin-4-yl)oxy-N-methylsulfonylanilino]methyl]phenyl]benzenecarboximidamide Traditional Name: 3-[3-[[4-[(1-acetimidoyl-4-piperidyl)oxy]-N-mesyl-anilino]methyl]phenyl]benzamidine Formula: C28H33N5O3S MolecularWeight: 519.65832

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)N(CC3=CC=CC(=C3)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=CC(=C3)C4=CC(=CC=C4)C(=N)N)S(=O)(=O)C

InChI

InChI=1S/C28H33N5O3S/c1-20(29)32-15-13-27(14-16-32)36-26-11-9-25(10-12-26)33(37(2,34)35)19-21-5-3-6-22(17-21)23-7-4-8-24(18-23)28(30)31/h3-12,17-18,27,29H,13-16,19H2,1-2H3,(H3,30,31)