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

Systemtic Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-(3-methoxy-4-piperidin-4-yloxy-phenyl)sulfamoyl]ethanoate Openeye Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)allyl]-[3-methoxy-4-(4-piperidyloxy)phenyl]sulfamoyl]acetate CAS Name: 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3-methoxy-4-(4-piperidinyloxy)phenyl]sulfamoyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-(3-methoxy-4-piperidin-4-yloxyphenyl)sulfamoyl]acetate Traditional Name: 2-[[(E)-3-(3-amidinophenyl)allyl]-[3-methoxy-4-(4-piperidyloxy)phenyl]sulfamoyl]acetic acid ethyl ester Formula: C26H34N4O6S MolecularWeight: 530.63636

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H34N4O6S/c1-3-35-25(31)18-37(32,33)30(15-5-7-19-6-4-8-20(16-19)26(27)28)21-9-10-23(24(17-21)34-2)36-22-11-13-29-14-12-22/h4-10,16-17,22,29H,3,11-15,18H2,1-2H3,(H3,27,28)/b7-5+