5-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-ethylsulfonyl-amino]-2-piperidin-4-yloxy-benzamide dihydrochloride

Systemtic Name: 5-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-ethylsulfonyl-amino]-2-piperidin-4-yloxy-benzamide dihydrochloride Openeye Name: 5-[[(E)-3-(3-carbamimidoylphenyl)allyl]-ethylsulfonyl-amino]-2-(4-piperidyloxy)benzamide dihydrochloride CAS Name: 5-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-ethylsulfonylamino]-2-(4-piperidinyloxy)benzamide dihydrochloride IUPAC Name: 5-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-ethylsulfonylamino]-2-piperidin-4-yloxybenzamide dihydrochloride Traditional Name: 5-[[(E)-3-(3-amidinophenyl)allyl]-esyl-amino]-2-(4-piperidyloxy)benzamide dihydrochloride Formula: C24H33Cl2N5O4S MolecularWeight: 558.52092

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N(CC=CC1=CC(=CC=C1)C(=N)N)C2=CC(=C(C=C2)OC3CCNCC3)C(=O)N.Cl.Cl

Isomeric SMILES

CCS(=O)(=O)N(C/C=C/C1=CC(=CC=C1)C(=N)N)C2=CC(=C(C=C2)OC3CCNCC3)C(=O)N.Cl.Cl

InChI

InChI=1S/C24H31N5O4S.2ClH/c1-2-34(31,32)29(14-4-6-17-5-3-7-18(15-17)23(25)26)19-8-9-22(21(16-19)24(27)30)33-20-10-12-28-13-11-20;;/h3-9,15-16,20,28H,2,10-14H2,1H3,(H3,25,26)(H2,27,30);2*1H/b6-4+;;