ethyl 5-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-(2-ethoxy-2-oxidanylidene-ethyl)sulfonyl-amino]-2-(1-ethanimidoylpiperidin-4-yl)oxy-benzoate dihydrochloride

Systemtic Name: ethyl 5-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-(2-ethoxy-2-oxidanylidene-ethyl)sulfonyl-amino]-2-(1-ethanimidoylpiperidin-4-yl)oxy-benzoate dihydrochloride Openeye Name: ethyl 5-[[(E)-3-(3-carbamimidoylphenyl)allyl]-(2-ethoxy-2-oxo-ethyl)sulfonyl-amino]-2-[(1-ethanimidoyl-4-piperidyl)oxy]benzoate dihydrochloride CAS Name: 5-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-(2-ethoxy-2-oxoethyl)sulfonylamino]-2-[[1-(1-iminoethyl)-4-piperidinyl]oxy]benzoic acid ethyl ester dihydrochloride IUPAC Name: ethyl 5-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-(2-ethoxy-2-oxoethyl)sulfonylamino]-2-(1-ethanimidoylpiperidin-4-yl)oxybenzoate dihydrochloride Traditional Name: 2-[(1-acetimidoyl-4-piperidyl)oxy]-5-[[(E)-3-(3-amidinophenyl)allyl]-(2-ethoxy-2-keto-ethyl)sulfonyl-amino]benzoic acid ethyl ester dihydrochloride Formula: C30H41Cl2N5O7S MolecularWeight: 686.64684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CS(=O)(=O)N(CC=CC1=CC(=CC=C1)C(=N)N)C2=CC(=C(C=C2)OC3CCN(CC3)C(=N)C)C(=O)OCC.Cl.Cl

Isomeric SMILES

CCOC(=O)CS(=O)(=O)N(C/C=C/C1=CC(=CC=C1)C(=N)N)C2=CC(=C(C=C2)OC3CCN(CC3)C(=N)C)C(=O)OCC.Cl.Cl

InChI

InChI=1S/C30H39N5O7S.2ClH/c1-4-40-28(36)20-43(38,39)35(15-7-9-22-8-6-10-23(18-22)29(32)33)24-11-12-27(26(19-24)30(37)41-5-2)42-25-13-16-34(17-14-25)21(3)31;;/h6-12,18-19,25,31H,4-5,13-17,20H2,1-3H3,(H3,32,33);2*1H/b9-7+,31-21?;;