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

Systemtic Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-(3-methyl-4-piperidin-4-yloxy-phenyl)sulfamoyl]ethanoate Openeye Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)allyl]-[3-methyl-4-(4-piperidyloxy)phenyl]sulfamoyl]acetate CAS Name: 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3-methyl-4-(4-piperidinyloxy)phenyl]sulfamoyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-(3-methyl-4-piperidin-4-yloxyphenyl)sulfamoyl]acetate Traditional Name: 2-[[(E)-3-(3-amidinophenyl)allyl]-[3-methyl-4-(4-piperidyloxy)phenyl]sulfamoyl]acetic acid ethyl ester Formula: C26H34N4O5S MolecularWeight: 514.63696

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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

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

InChI

InChI=1S/C26H34N4O5S/c1-3-34-25(31)18-36(32,33)30(15-5-7-20-6-4-8-21(17-20)26(27)28)22-9-10-24(19(2)16-22)35-23-11-13-29-14-12-23/h4-10,16-17,23,29H,3,11-15,18H2,1-2H3,(H3,27,28)/b7-5+