4-carbamimidoylbenzamide; 2-[2-carboxy-1-[2-(naphthalen-2-ylsulfonylamino)ethanoyl]pyrrolidin-2-yl]ethanoate

Systemtic Name: 4-carbamimidoylbenzamide; 2-[2-carboxy-1-[2-(naphthalen-2-ylsulfonylamino)ethanoyl]pyrrolidin-2-yl]ethanoate Openeye Name: 4-carbamimidoylbenzamide; 2-[2-carboxy-1-[2-(2-naphthylsulfonylamino)acetyl]pyrrolidin-2-yl]acetate CAS Name: 4-carbamimidoylbenzamide; 2-[2-carboxy-1-[2-(2-naphthalenylsulfonylamino)-1-oxoethyl]-2-pyrrolidinyl]acetate IUPAC Name: 4-carbamimidoylbenzamide; 2-[2-carboxy-1-[2-(naphthalen-2-ylsulfonylamino)acetyl]pyrrolidin-2-yl]acetate Traditional Name: 4-amidinobenzamide; 2-[2-carboxy-1-[2-(2-naphthylsulfonylamino)acetyl]pyrrolidin-2-yl]acetate Formula: C27H28N5O8S- MolecularWeight: 582.60492

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)(CC(=O)[O-])C(=O)O.C1=CC(=CC=C1C(=N)N)C(=O)N

Isomeric SMILES

C1CC(N(C1)C(=O)CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)(CC(=O)[O-])C(=O)O.C1=CC(=CC=C1C(=N)N)C(=O)N

InChI

InChI=1S/C19H20N2O7S.C8H9N3O/c22-16(21-9-3-8-19(21,18(25)26)11-17(23)24)12-20-29(27,28)15-7-6-13-4-1-2-5-14(13)10-15;9-7(10)5-1-3-6(4-2-5)8(11)12/h1-2,4-7,10,20H,3,8-9,11-12H2,(H,23,24)(H,25,26);1-4H,(H3,9,10)(H2,11,12)/p-1