ethyl 2-[(3-aminocarbonyl-5-methyl-4-piperidin-4-yloxy-phenyl)-[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]sulfamoyl]ethanoate

Systemtic Name: ethyl 2-[(3-aminocarbonyl-5-methyl-4-piperidin-4-yloxy-phenyl)-[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]sulfamoyl]ethanoate Openeye Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)allyl]-[3-carbamoyl-5-methyl-4-(4-piperidyloxy)phenyl]sulfamoyl]acetate CAS Name: 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3-carbamoyl-5-methyl-4-(4-piperidinyloxy)phenyl]sulfamoyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-(3-carbamoyl-5-methyl-4-piperidin-4-yloxyphenyl)sulfamoyl]acetate Traditional Name: 2-[[(E)-3-(3-amidinophenyl)allyl]-[3-carbamoyl-5-methyl-4-(4-piperidyloxy)phenyl]sulfamoyl]acetic acid ethyl ester Formula: C27H35N5O6S MolecularWeight: 557.6617

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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)C(=O)N)OC3CCNCC3)C

Isomeric SMILES

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

InChI

InChI=1S/C27H35N5O6S/c1-3-37-24(33)17-39(35,36)32(13-5-7-19-6-4-8-20(15-19)26(28)29)21-14-18(2)25(23(16-21)27(30)34)38-22-9-11-31-12-10-22/h4-8,14-16,22,31H,3,9-13,17H2,1-2H3,(H3,28,29)(H2,30,34)/b7-5+