ethyl 2-[(E)-2-(3-carbamimidoylphenyl)ethenyl]-1-(2-ethoxy-2-oxidanylidene-ethyl)sulfonyl-5-piperidin-4-yloxy-2,3-dihydroindole-6-carboxylate

Systemtic Name: ethyl 2-[(E)-2-(3-carbamimidoylphenyl)ethenyl]-1-(2-ethoxy-2-oxidanylidene-ethyl)sulfonyl-5-piperidin-4-yloxy-2,3-dihydroindole-6-carboxylate Openeye Name: ethyl 2-[(E)-2-(3-carbamimidoylphenyl)vinyl]-1-(2-ethoxy-2-oxo-ethyl)sulfonyl-5-(4-piperidyloxy)indoline-6-carboxylate CAS Name: 2-[(E)-2-(3-carbamimidoylphenyl)ethenyl]-1-(2-ethoxy-2-oxoethyl)sulfonyl-5-(4-piperidinyloxy)-2,3-dihydroindole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(E)-2-(3-carbamimidoylphenyl)ethenyl]-1-(2-ethoxy-2-oxoethyl)sulfonyl-5-piperidin-4-yloxy-2,3-dihydroindole-6-carboxylate Traditional Name: 2-[(E)-2-(3-amidinophenyl)vinyl]-1-(2-ethoxy-2-keto-ethyl)sulfonyl-5-(4-piperidyloxy)indoline-6-carboxylic acid ethyl ester Formula: C29H36N4O7S MolecularWeight: 584.68374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CS(=O)(=O)N1C(CC2=C1C=C(C(=C2)OC3CCNCC3)C(=O)OCC)C=CC4=CC(=CC=C4)C(=N)N

Isomeric SMILES

CCOC(=O)CS(=O)(=O)N1C(CC2=C1C=C(C(=C2)OC3CCNCC3)C(=O)OCC)/C=C/C4=CC(=CC=C4)C(=N)N

InChI

InChI=1S/C29H36N4O7S/c1-3-38-27(34)18-41(36,37)33-22(9-8-19-6-5-7-20(14-19)28(30)31)15-21-16-26(40-23-10-12-32-13-11-23)24(17-25(21)33)29(35)39-4-2/h5-9,14,16-17,22-23,32H,3-4,10-13,15,18H2,1-2H3,(H3,30,31)/b9-8+