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

Systemtic Name: 5-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-methylsulfonyl-amino]-2-piperidin-4-yloxy-benzamide dihydrochloride Openeye Name: 5-[[(E)-3-(3-carbamimidoylphenyl)allyl]-methylsulfonyl-amino]-2-(4-piperidyloxy)benzamide dihydrochloride CAS Name: 5-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-methylsulfonylamino]-2-(4-piperidinyloxy)benzamide dihydrochloride IUPAC Name: 5-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-methylsulfonylamino]-2-piperidin-4-yloxybenzamide dihydrochloride Traditional Name: 5-[[(E)-3-(3-amidinophenyl)allyl]-mesyl-amino]-2-(4-piperidyloxy)benzamide dihydrochloride Formula: C23H31Cl2N5O4S MolecularWeight: 544.49434

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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)OC3CCNCC3)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)OC3CCNCC3)C(=O)N.Cl.Cl

InChI

InChI=1S/C23H29N5O4S.2ClH/c1-33(30,31)28(13-3-5-16-4-2-6-17(14-16)22(24)25)18-7-8-21(20(15-18)23(26)29)32-19-9-11-27-12-10-19;;/h2-8,14-15,19,27H,9-13H2,1H3,(H3,24,25)(H2,26,29);2*1H/b5-3+;;