3-azanyl-3-azanylidene-2-(phenylmethyl)-2-(quinolin-8-ylsulfonylamino)propanoic acid

Systemtic Name: 3-azanyl-3-azanylidene-2-(phenylmethyl)-2-(quinolin-8-ylsulfonylamino)propanoic acid Openeye Name: 3-amino-2-benzyl-3-imino-2-(8-quinolylsulfonylamino)propanoic acid CAS Name: 3-amino-3-imino-2-(phenylmethyl)-2-(8-quinolinylsulfonylamino)propanoic acid IUPAC Name: 3-amino-2-benzyl-3-imino-2-(quinolin-8-ylsulfonylamino)propanoic acid Traditional Name: 3-amino-2-benzyl-3-imino-2-(8-quinolylsulfonylamino)propionic acid Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=N)N)(C(=O)O)NS(=O)(=O)C2=CC=CC3=C2N=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=N)N)(C(=O)O)NS(=O)(=O)C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C19H18N4O4S/c20-17(21)19(18(24)25,12-13-6-2-1-3-7-13)23-28(26,27)15-10-4-8-14-9-5-11-22-16(14)15/h1-11,23H,12H2,(H3,20,21)(H,24,25)