ethyl 2-[[3-bromanyl-4-(1-ethanimidoylpiperidin-4-yl)oxy-phenyl]-[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]sulfamoyl]ethanoate

Systemtic Name: ethyl 2-[[3-bromanyl-4-(1-ethanimidoylpiperidin-4-yl)oxy-phenyl]-[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]sulfamoyl]ethanoate Openeye Name: ethyl 2-[[3-bromo-4-[(1-ethanimidoyl-4-piperidyl)oxy]phenyl]-[(E)-3-(3-carbamimidoylphenyl)allyl]sulfamoyl]acetate CAS Name: 2-[[3-bromo-4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]phenyl]-[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]sulfamoyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[[3-bromo-4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]-[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]sulfamoyl]acetate Traditional Name: 2-[[4-[(1-acetimidoyl-4-piperidyl)oxy]-3-bromo-phenyl]-[(E)-3-(3-amidinophenyl)allyl]sulfamoyl]acetic acid ethyl ester Formula: C27H34BrN5O5S MolecularWeight: 620.55836

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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)OC3CCN(CC3)C(=N)C)Br

Isomeric SMILES

CCOC(=O)CS(=O)(=O)N(C/C=C/C1=CC(=CC=C1)C(=N)N)C2=CC(=C(C=C2)OC3CCN(CC3)C(=N)C)Br

InChI

InChI=1S/C27H34BrN5O5S/c1-3-37-26(34)18-39(35,36)33(13-5-7-20-6-4-8-21(16-20)27(30)31)22-9-10-25(24(28)17-22)38-23-11-14-32(15-12-23)19(2)29/h4-10,16-17,23,29H,3,11-15,18H2,1-2H3,(H3,30,31)/b7-5+,29-19?