ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-(4-piperidin-4-yloxyphenyl)sulfamoyl]ethanoate

Systemtic Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-(4-piperidin-4-yloxyphenyl)sulfamoyl]ethanoate Openeye Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)allyl]-[4-(4-piperidyloxy)phenyl]sulfamoyl]acetate CAS Name: 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[4-(4-piperidinyloxy)phenyl]sulfamoyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-(4-piperidin-4-yloxyphenyl)sulfamoyl]acetate Traditional Name: 2-[[(E)-3-(3-amidinophenyl)allyl]-[4-(4-piperidyloxy)phenyl]sulfamoyl]acetic acid ethyl ester Formula: C25H32N4O5S MolecularWeight: 500.61038

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O5S/c1-2-33-24(30)18-35(31,32)29(16-4-6-19-5-3-7-20(17-19)25(26)27)21-8-10-22(11-9-21)34-23-12-14-28-15-13-23/h3-11,17,23,28H,2,12-16,18H2,1H3,(H3,26,27)/b6-4+