5-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-methylsulfonyl-amino]-2-[1-(4,5-dihydro-1,3-oxazol-2-yl)piperidin-4-yl]oxy-benzamide dihydrochloride

Systemtic Name: 5-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-methylsulfonyl-amino]-2-[1-(4,5-dihydro-1,3-oxazol-2-yl)piperidin-4-yl]oxy-benzamide dihydrochloride Openeye Name: 5-[[(E)-3-(3-carbamimidoylphenyl)allyl]-methylsulfonyl-amino]-2-[[1-(4,5-dihydrooxazol-2-yl)-4-piperidyl]oxy]benzamide dihydrochloride CAS Name: 5-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-methylsulfonylamino]-2-[[1-(4,5-dihydrooxazol-2-yl)-4-piperidinyl]oxy]benzamide dihydrochloride IUPAC Name: 5-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-methylsulfonylamino]-2-[1-(4,5-dihydro-1,3-oxazol-2-yl)piperidin-4-yl]oxybenzamide dihydrochloride Traditional Name: 5-[[(E)-3-(3-amidinophenyl)allyl]-mesyl-amino]-2-[[1-(2-oxazolin-2-yl)-4-piperidyl]oxy]benzamide dihydrochloride Formula: C26H34Cl2N6O5S MolecularWeight: 613.55636

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC=CC1=CC(=CC=C1)C(=N)N)C2=CC(=C(C=C2)OC3CCN(CC3)C4=NCCO4)C(=O)N.Cl.Cl

Isomeric SMILES

CS(=O)(=O)N(C/C=C/C1=CC(=CC=C1)C(=N)N)C2=CC(=C(C=C2)OC3CCN(CC3)C4=NCCO4)C(=O)N.Cl.Cl

InChI

InChI=1S/C26H32N6O5S.2ClH/c1-38(34,35)32(12-3-5-18-4-2-6-19(16-18)24(27)28)20-7-8-23(22(17-20)25(29)33)37-21-9-13-31(14-10-21)26-30-11-15-36-26;;/h2-8,16-17,21H,9-15H2,1H3,(H3,27,28)(H2,29,33);2*1H/b5-3+;;