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

Systemtic Name: 3-[2-[[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]-methylsulfonyl-amino]methyl]phenyl]benzenecarboximidamide Openeye Name: 3-[2-[[4-[(1-ethanimidoyl-4-piperidyl)oxy]-N-methylsulfonyl-anilino]methyl]phenyl]benzamidine CAS Name: 3-[2-[[4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-N-methylsulfonylanilino]methyl]phenyl]benzenecarboximidamide IUPAC Name: 3-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxy-N-methylsulfonylanilino]methyl]phenyl]benzenecarboximidamide Traditional Name: 3-[2-[[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=C3C4=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=C3C4=CC(=CC=C4)C(=N)N)S(=O)(=O)C

InChI

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