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

Systemtic Name: 3-[[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]-ethylsulfonyl-amino]methyl]benzenecarboximidamide Openeye Name: 3-[[4-[(1-ethanimidoyl-4-piperidyl)oxy]-N-ethylsulfonyl-anilino]methyl]benzamidine CAS Name: 3-[[N-ethylsulfonyl-4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]anilino]methyl]benzenecarboximidamide IUPAC Name: 3-[[4-(1-ethanimidoylpiperidin-4-yl)oxy-N-ethylsulfonylanilino]methyl]benzenecarboximidamide Traditional Name: 3-[[4-[(1-acetimidoyl-4-piperidyl)oxy]-N-esyl-anilino]methyl]benzamidine Formula: C23H31N5O3S MolecularWeight: 457.58894

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N(CC1=CC=CC(=C1)C(=N)N)C2=CC=C(C=C2)OC3CCN(CC3)C(=N)C

Isomeric SMILES

CCS(=O)(=O)N(CC1=CC=CC(=C1)C(=N)N)C2=CC=C(C=C2)OC3CCN(CC3)C(=N)C

InChI

InChI=1S/C23H31N5O3S/c1-3-32(29,30)28(16-18-5-4-6-19(15-18)23(25)26)20-7-9-21(10-8-20)31-22-11-13-27(14-12-22)17(2)24/h4-10,15,22,24H,3,11-14,16H2,1-2H3,(H3,25,26)