methyl 2-[4-[4-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-(2-ethoxy-2-oxidanylidene-ethyl)sulfonyl-amino]-2-chloranyl-phenoxy]piperidin-1-yl]ethanoate dihydrochloride

Systemtic Name: methyl 2-[4-[4-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-(2-ethoxy-2-oxidanylidene-ethyl)sulfonyl-amino]-2-chloranyl-phenoxy]piperidin-1-yl]ethanoate dihydrochloride Openeye Name: methyl 2-[4-[4-[[(E)-3-(3-carbamimidoylphenyl)allyl]-(2-ethoxy-2-oxo-ethyl)sulfonyl-amino]-2-chloro-phenoxy]-1-piperidyl]acetate dihydrochloride CAS Name: 2-[4-[4-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-(2-ethoxy-2-oxoethyl)sulfonylamino]-2-chlorophenoxy]-1-piperidinyl]acetic acid methyl ester dihydrochloride IUPAC Name: methyl 2-[4-[4-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-(2-ethoxy-2-oxoethyl)sulfonylamino]-2-chlorophenoxy]piperidin-1-yl]acetate dihydrochloride Traditional Name: 2-[4-[4-[[(E)-3-(3-amidinophenyl)allyl]-(2-ethoxy-2-keto-ethyl)sulfonyl-amino]-2-chloro-phenoxy]piperidino]acetic acid methyl ester dihydrochloride Formula: C28H37Cl3N4O7S MolecularWeight: 680.03998

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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)CC(=O)OC)Cl.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)CC(=O)OC)Cl.Cl.Cl

InChI

InChI=1S/C28H35ClN4O7S.2ClH/c1-3-39-27(35)19-41(36,37)33(13-5-7-20-6-4-8-21(16-20)28(30)31)22-9-10-25(24(29)17-22)40-23-11-14-32(15-12-23)18-26(34)38-2;;/h4-10,16-17,23H,3,11-15,18-19H2,1-2H3,(H3,30,31);2*1H/b7-5+;;