ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-(4-piperidin-4-yloxy-3-propan-2-yl-phenyl)sulfamoyl]ethanoate

Systemtic Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-(4-piperidin-4-yloxy-3-propan-2-yl-phenyl)sulfamoyl]ethanoate Openeye Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)allyl]-[3-isopropyl-4-(4-piperidyloxy)phenyl]sulfamoyl]acetate CAS Name: 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[4-(4-piperidinyloxy)-3-propan-2-ylphenyl]sulfamoyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-(4-piperidin-4-yloxy-3-propan-2-ylphenyl)sulfamoyl]acetate Traditional Name: 2-[[(E)-3-(3-amidinophenyl)allyl]-[3-isopropyl-4-(4-piperidyloxy)phenyl]sulfamoyl]acetic acid ethyl ester Formula: C28H38N4O5S MolecularWeight: 542.69012

Click to see the large picture

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(C)C

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(C)C

InChI

InChI=1S/C28H38N4O5S/c1-4-36-27(33)19-38(34,35)32(16-6-8-21-7-5-9-22(17-21)28(29)30)23-10-11-26(25(18-23)20(2)3)37-24-12-14-31-15-13-24/h5-11,17-18,20,24,31H,4,12-16,19H2,1-3H3,(H3,29,30)/b8-6+