ethyl 2-[[(E)-3-(5-carbamimidoyl-2-methyl-phenyl)prop-2-enyl]-(4-piperidin-4-yloxyphenyl)sulfamoyl]ethanoate

Systemtic Name: ethyl 2-[[(E)-3-(5-carbamimidoyl-2-methyl-phenyl)prop-2-enyl]-(4-piperidin-4-yloxyphenyl)sulfamoyl]ethanoate Openeye Name: ethyl 2-[[(E)-3-(5-carbamimidoyl-2-methyl-phenyl)allyl]-[4-(4-piperidyloxy)phenyl]sulfamoyl]acetate CAS Name: 2-[[(E)-3-(5-carbamimidoyl-2-methylphenyl)prop-2-enyl]-[4-(4-piperidinyloxy)phenyl]sulfamoyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(5-carbamimidoyl-2-methylphenyl)prop-2-enyl]-(4-piperidin-4-yloxyphenyl)sulfamoyl]acetate Traditional Name: 2-[[(E)-3-(5-amidino-2-methyl-phenyl)allyl]-[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=C(C=CC(=C1)C(=N)N)C)C2=CC=C(C=C2)OC3CCNCC3

Isomeric SMILES

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

InChI

InChI=1S/C26H34N4O5S/c1-3-34-25(31)18-36(32,33)30(16-4-5-20-17-21(26(27)28)7-6-19(20)2)22-8-10-23(11-9-22)35-24-12-14-29-15-13-24/h4-11,17,24,29H,3,12-16,18H2,1-2H3,(H3,27,28)/b5-4+