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2-azaniumylethyl-[(2-cyanophenyl)methylsulfonyl]azanide

2-azaniumylethyl-[(2-cyanophenyl)methylsulfonyl]azanide

Systemtic Name:2-azaniumylethyl-[(2-cyanophenyl)methylsulfonyl]azanide
Openeye Name:2-azaniumylethyl-[(2-cyanophenyl)methylsulfonyl]azanide
CAS Name:2-ammonioethyl-[(2-cyanophenyl)methylsulfonyl]azanide
IUPAC Name:2-azaniumylethyl-[(2-cyanophenyl)methylsulfonyl]azanide
Traditional Name:2-ammonioethyl-(2-cyanobenzyl)sulfonyl-azanide
Formula: C10H13N3O2S
MolecularWeight: 239.29412
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CS(=O)(=O)[N-]CC[NH3+])C#N


Isomeric SMILES

C1=CC=C(C(=C1)CS(=O)(=O)[N-]CC[NH3+])C#N


InChI

InChI=1S/C10H12N3O2S/c11-5-6-13-16(14,15)8-10-4-2-1-3-9(10)7-12/h1-4H,5-6,8,11H2/q-1/p+1


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