ethyl 2-[[(7-carbamimidoylnaphthalen-2-yl)methyl-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]sulfamoyl]amino]ethanoate

Systemtic Name: ethyl 2-[[(7-carbamimidoylnaphthalen-2-yl)methyl-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]sulfamoyl]amino]ethanoate Openeye Name: ethyl 2-[[(7-carbamimidoyl-2-naphthyl)methyl-[4-[(1-ethanimidoyl-4-piperidyl)oxy]phenyl]sulfamoyl]amino]acetate CAS Name: 2-[[(7-carbamimidoyl-2-naphthalenyl)methyl-[4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]phenyl]sulfamoyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(7-carbamimidoylnaphthalen-2-yl)methyl-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]sulfamoyl]amino]acetate Traditional Name: 2-[[[4-[(1-acetimidoyl-4-piperidyl)oxy]phenyl]-[(7-amidino-2-naphthyl)methyl]sulfamoyl]amino]acetic acid ethyl ester Formula: C29H36N6O5S MolecularWeight: 580.69834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNS(=O)(=O)N(CC1=CC2=C(C=C1)C=CC(=C2)C(=N)N)C3=CC=C(C=C3)OC4CCN(CC4)C(=N)C

Isomeric SMILES

CCOC(=O)CNS(=O)(=O)N(CC1=CC2=C(C=C1)C=CC(=C2)C(=N)N)C3=CC=C(C=C3)OC4CCN(CC4)C(=N)C

InChI

InChI=1S/C29H36N6O5S/c1-3-39-28(36)18-33-41(37,38)35(19-21-4-5-22-6-7-23(29(31)32)17-24(22)16-21)25-8-10-26(11-9-25)40-27-12-14-34(15-13-27)20(2)30/h4-11,16-17,27,30,33H,3,12-15,18-19H2,1-2H3,(H3,31,32)