2-[bis(azanyl)methylideneamino]-2-(naphthalen-2-ylsulfonylamino)-3-phenyl-propanoic acid

Systemtic Name: 2-[bis(azanyl)methylideneamino]-2-(naphthalen-2-ylsulfonylamino)-3-phenyl-propanoic acid Openeye Name: 2-guanidino-2-(2-naphthylsulfonylamino)-3-phenyl-propanoic acid CAS Name: 2-(diaminomethylideneamino)-2-(2-naphthalenylsulfonylamino)-3-phenylpropanoic acid IUPAC Name: 2-(diaminomethylideneamino)-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoic acid Traditional Name: 2-guanidino-2-(2-naphthylsulfonylamino)-3-phenyl-propionic acid Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)(NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)N=C(N)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)(NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)N=C(N)N

InChI

InChI=1S/C20H20N4O4S/c21-19(22)23-20(18(25)26,13-14-6-2-1-3-7-14)24-29(27,28)17-11-10-15-8-4-5-9-16(15)12-17/h1-12,24H,13H2,(H,25,26)(H4,21,22,23)