ethyl 5-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-(2-ethoxy-2-oxidanylidene-ethyl)sulfonyl-amino]-2-piperidin-4-yloxy-benzoate

Systemtic Name: ethyl 5-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-(2-ethoxy-2-oxidanylidene-ethyl)sulfonyl-amino]-2-piperidin-4-yloxy-benzoate Openeye Name: ethyl 5-[[(E)-3-(3-carbamimidoylphenyl)allyl]-(2-ethoxy-2-oxo-ethyl)sulfonyl-amino]-2-(4-piperidyloxy)benzoate CAS Name: 5-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-(2-ethoxy-2-oxoethyl)sulfonylamino]-2-(4-piperidinyloxy)benzoic acid ethyl ester IUPAC Name: ethyl 5-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-(2-ethoxy-2-oxoethyl)sulfonylamino]-2-piperidin-4-yloxybenzoate Traditional Name: 5-[[(E)-3-(3-amidinophenyl)allyl]-(2-ethoxy-2-keto-ethyl)sulfonyl-amino]-2-(4-piperidyloxy)benzoic acid ethyl ester Formula: C28H36N4O7S MolecularWeight: 572.67304

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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)OC3CCNCC3)C(=O)OCC

Isomeric SMILES

CCOC(=O)CS(=O)(=O)N(C/C=C/C1=CC(=CC=C1)C(=N)N)C2=CC(=C(C=C2)OC3CCNCC3)C(=O)OCC

InChI

InChI=1S/C28H36N4O7S/c1-3-37-26(33)19-40(35,36)32(16-6-8-20-7-5-9-21(17-20)27(29)30)22-10-11-25(24(18-22)28(34)38-4-2)39-23-12-14-31-15-13-23/h5-11,17-18,23,31H,3-4,12-16,19H2,1-2H3,(H3,29,30)/b8-6+