N-[4-[bis(azanyl)methylideneamino]sulfonylphenyl]-3-(4-bromanylpyrazol-1-yl)propanamide

Systemtic Name: N-[4-[bis(azanyl)methylideneamino]sulfonylphenyl]-3-(4-bromanylpyrazol-1-yl)propanamide Openeye Name: 3-(4-bromopyrazol-1-yl)-N-(4-guanidinosulfonylphenyl)propanamide CAS Name: 3-(4-bromo-1-pyrazolyl)-N-[4-(diaminomethylideneamino)sulfonylphenyl]propanamide IUPAC Name: 3-(4-bromopyrazol-1-yl)-N-[4-(diaminomethylideneamino)sulfonylphenyl]propanamide Traditional Name: 3-(4-bromopyrazol-1-yl)-N-(4-guanidinosulfonylphenyl)propionamide Formula: C13H15BrN6O3S MolecularWeight: 415.2656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CCN2C=C(C=N2)Br)S(=O)(=O)N=C(N)N

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CCN2C=C(C=N2)Br)S(=O)(=O)N=C(N)N

InChI

InChI=1S/C13H15BrN6O3S/c14-9-7-17-20(8-9)6-5-12(21)18-10-1-3-11(4-2-10)24(22,23)19-13(15)16/h1-4,7-8H,5-6H2,(H,18,21)(H4,15,16,19)