3-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]-ethylsulfonyl-amino]ethyl]benzenecarboximidamide

Systemtic Name: 3-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]-ethylsulfonyl-amino]ethyl]benzenecarboximidamide Openeye Name: 3-[2-[4-[(1-ethanimidoyl-4-piperidyl)oxy]-N-ethylsulfonyl-anilino]ethyl]benzamidine CAS Name: 3-[2-[N-ethylsulfonyl-4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]anilino]ethyl]benzenecarboximidamide IUPAC Name: 3-[2-[4-(1-ethanimidoylpiperidin-4-yl)oxy-N-ethylsulfonylanilino]ethyl]benzenecarboximidamide Traditional Name: 3-[2-[4-[(1-acetimidoyl-4-piperidyl)oxy]-N-esyl-anilino]ethyl]benzamidine Formula: C24H33N5O3S MolecularWeight: 471.61552

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N(CCC1=CC=CC(=C1)C(=N)N)C2=CC=C(C=C2)OC3CCN(CC3)C(=N)C

Isomeric SMILES

CCS(=O)(=O)N(CCC1=CC=CC(=C1)C(=N)N)C2=CC=C(C=C2)OC3CCN(CC3)C(=N)C

InChI

InChI=1S/C24H33N5O3S/c1-3-33(30,31)29(16-11-19-5-4-6-20(17-19)24(26)27)21-7-9-22(10-8-21)32-23-12-14-28(15-13-23)18(2)25/h4-10,17,23,25H,3,11-16H2,1-2H3,(H3,26,27)