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

Systemtic Name: 2-[(7-carbamimidoylnaphthalen-2-yl)methyl-[4-(4-ethanimidoyl-1,4-diazepan-1-yl)phenyl]sulfamoyl]ethanoate Openeye Name: 2-[(7-carbamimidoyl-2-naphthyl)methyl-[4-(4-ethanimidoyl-1,4-diazepan-1-yl)phenyl]sulfamoyl]acetate CAS Name: 2-[(7-carbamimidoyl-2-naphthalenyl)methyl-[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)phenyl]sulfamoyl]acetate Traditional Name: 2-[[4-(4-acetimidoyl-1,4-diazepan-1-yl)phenyl]-[(7-amidino-2-naphthyl)methyl]sulfamoyl]acetate Formula: C27H31N6O4S- MolecularWeight: 535.63784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N6O4S/c1-19(28)31-11-2-12-32(14-13-31)24-7-9-25(10-8-24)33(38(36,37)18-26(34)35)17-20-3-4-21-5-6-22(27(29)30)16-23(21)15-20/h3-10,15-16,28H,2,11-14,17-18H2,1H3,(H3,29,30)(H,34,35)/p-1