2-[(7-carbamimidoylnaphthalen-2-yl)methyl-[6-(4-ethanimidoyl-1,4-diazepan-1-yl)pyridin-3-yl]sulfamoyl]ethanoic acid

Systemtic Name: 2-[(7-carbamimidoylnaphthalen-2-yl)methyl-[6-(4-ethanimidoyl-1,4-diazepan-1-yl)pyridin-3-yl]sulfamoyl]ethanoic acid Openeye Name: 2-[(7-carbamimidoyl-2-naphthyl)methyl-[6-(4-ethanimidoyl-1,4-diazepan-1-yl)-3-pyridyl]sulfamoyl]acetic acid CAS Name: 2-[(7-carbamimidoyl-2-naphthalenyl)methyl-[6-[4-(1-iminoethyl)-1,4-diazepan-1-yl]-3-pyridinyl]sulfamoyl]acetic acid IUPAC Name: 2-[(7-carbamimidoylnaphthalen-2-yl)methyl-[6-(4-ethanimidoyl-1,4-diazepan-1-yl)pyridin-3-yl]sulfamoyl]acetic acid Traditional Name: 2-[[6-(4-acetimidoyl-1,4-diazepan-1-yl)-3-pyridyl]-[(7-amidino-2-naphthyl)methyl]sulfamoyl]acetic acid Formula: C26H31N7O4S MolecularWeight: 537.63384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCCN(CC1)C2=NC=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=NC=C(C=C2)N(CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)S(=O)(=O)CC(=O)O

InChI

InChI=1S/C26H31N7O4S/c1-18(27)31-9-2-10-32(12-11-31)24-8-7-23(15-30-24)33(38(36,37)17-25(34)35)16-19-3-4-20-5-6-21(26(28)29)14-22(20)13-19/h3-8,13-15,27H,2,9-12,16-17H2,1H3,(H3,28,29)(H,34,35)