2-[(7-carbamimidoylnaphthalen-2-yl)methyl-[4-(4-ethanimidoyl-1,4-diazepan-1-yl)-3-fluoranyl-phenyl]sulfamoyl]ethanoate

Systemtic Name: 2-[(7-carbamimidoylnaphthalen-2-yl)methyl-[4-(4-ethanimidoyl-1,4-diazepan-1-yl)-3-fluoranyl-phenyl]sulfamoyl]ethanoate Openeye Name: 2-[(7-carbamimidoyl-2-naphthyl)methyl-[4-(4-ethanimidoyl-1,4-diazepan-1-yl)-3-fluoro-phenyl]sulfamoyl]acetate CAS Name: 2-[(7-carbamimidoyl-2-naphthalenyl)methyl-[3-fluoro-4-[4-(1-iminoethyl)-1,4-diazepan-1-yl]phenyl]sulfamoyl]acetate IUPAC Name: 2-[(7-carbamimidoylnaphthalen-2-yl)methyl-[4-(4-ethanimidoyl-1,4-diazepan-1-yl)-3-fluorophenyl]sulfamoyl]acetate Traditional Name: 2-[[4-(4-acetimidoyl-1,4-diazepan-1-yl)-3-fluoro-phenyl]-[(7-amidino-2-naphthyl)methyl]sulfamoyl]acetate Formula: C27H30FN6O4S- MolecularWeight: 553.628303

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCCN(CC1)C2=C(C=C(C=C2)N(CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)S(=O)(=O)CC(=O)[O-])F

Isomeric SMILES

CC(=N)N1CCCN(CC1)C2=C(C=C(C=C2)N(CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)S(=O)(=O)CC(=O)[O-])F

InChI

InChI=1S/C27H31FN6O4S/c1-18(29)32-9-2-10-33(12-11-32)25-8-7-23(15-24(25)28)34(39(37,38)17-26(35)36)16-19-3-4-20-5-6-21(27(30)31)14-22(20)13-19/h3-8,13-15,29H,2,9-12,16-17H2,1H3,(H3,30,31)(H,35,36)/p-1