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

Systemtic Name: 3-[3-[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]-ethylsulfonyl-amino]propyl]benzenecarboximidamide Openeye Name: 3-[3-[4-[(1-ethanimidoyl-4-piperidyl)oxy]-N-ethylsulfonyl-anilino]propyl]benzamidine CAS Name: 3-[3-[N-ethylsulfonyl-4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]anilino]propyl]benzenecarboximidamide IUPAC Name: 3-[3-[4-(1-ethanimidoylpiperidin-4-yl)oxy-N-ethylsulfonylanilino]propyl]benzenecarboximidamide Traditional Name: 3-[3-[4-[(1-acetimidoyl-4-piperidyl)oxy]-N-esyl-anilino]propyl]benzamidine Formula: C25H35N5O3S MolecularWeight: 485.6421

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N(CCCC1=CC=CC(=C1)C(=N)N)C2=CC=C(C=C2)OC3CCN(CC3)C(=N)C

Isomeric SMILES

CCS(=O)(=O)N(CCCC1=CC=CC(=C1)C(=N)N)C2=CC=C(C=C2)OC3CCN(CC3)C(=N)C

InChI

InChI=1S/C25H35N5O3S/c1-3-34(31,32)30(15-5-7-20-6-4-8-21(18-20)25(27)28)22-9-11-23(12-10-22)33-24-13-16-29(17-14-24)19(2)26/h4,6,8-12,18,24,26H,3,5,7,13-17H2,1-2H3,(H3,27,28)