2-[(7-carbamimidoylnaphthalen-2-yl)methyl-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]sulfamoyl]ethanoic acid

Systemtic Name: 2-[(7-carbamimidoylnaphthalen-2-yl)methyl-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]sulfamoyl]ethanoic acid Openeye Name: 2-[(7-carbamimidoyl-2-naphthyl)methyl-[4-[(1-ethanimidoyl-4-piperidyl)oxy]phenyl]sulfamoyl]acetic acid CAS Name: 2-[(7-carbamimidoyl-2-naphthalenyl)methyl-[4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]phenyl]sulfamoyl]acetic acid IUPAC Name: 2-[(7-carbamimidoylnaphthalen-2-yl)methyl-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]sulfamoyl]acetic acid Traditional Name: 2-[[4-[(1-acetimidoyl-4-piperidyl)oxy]phenyl]-[(7-amidino-2-naphthyl)methyl]sulfamoyl]acetic acid Formula: C27H31N5O5S MolecularWeight: 537.63054

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=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)N1CCC(CC1)OC2=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/C27H31N5O5S/c1-18(28)31-12-10-25(11-13-31)37-24-8-6-23(7-9-24)32(38(35,36)17-26(33)34)16-19-2-3-20-4-5-21(27(29)30)15-22(20)14-19/h2-9,14-15,25,28H,10-13,16-17H2,1H3,(H3,29,30)(H,33,34)