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

Systemtic Name: sulfamoyl 2-[(7-carbamimidoylnaphthalen-2-yl)methyl-[2-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]amino]ethanoate Openeye Name: sulfamoyl 2-[N-[(7-carbamimidoyl-2-naphthyl)methyl]-2-[(1-ethanimidoyl-4-piperidyl)oxy]anilino]acetate CAS Name: 2-[N-[(7-carbamimidoyl-2-naphthalenyl)methyl]-2-[[1-(1-iminoethyl)-4-piperidinyl]oxy]anilino]acetic acid sulfamoyl ester IUPAC Name: sulfamoyl 2-[N-[(7-carbamimidoylnaphthalen-2-yl)methyl]-2-(1-ethanimidoylpiperidin-4-yl)oxyanilino]acetate Traditional Name: 2-[2-[(1-acetimidoyl-4-piperidyl)oxy]-N-[(7-amidino-2-naphthyl)methyl]anilino]acetic acid sulfamoyl ester Formula: C27H32N6O5S MolecularWeight: 552.64518

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC=CC=C2N(CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)CC(=O)OS(=O)(=O)N

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC=CC=C2N(CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)CC(=O)OS(=O)(=O)N

InChI

InChI=1S/C27H32N6O5S/c1-18(28)32-12-10-23(11-13-32)37-25-5-3-2-4-24(25)33(17-26(34)38-39(31,35)36)16-19-6-7-20-8-9-21(27(29)30)15-22(20)14-19/h2-9,14-15,23,28H,10-13,16-17H2,1H3,(H3,29,30)(H2,31,35,36)