2-[4-(aminomethyl)piperidin-1-yl]sulfonyl-4-chloranyl-benzenecarbonitrile

Systemtic Name: 2-[4-(aminomethyl)piperidin-1-yl]sulfonyl-4-chloranyl-benzenecarbonitrile Openeye Name: 2-[[4-(aminomethyl)-1-piperidyl]sulfonyl]-4-chloro-benzonitrile CAS Name: 2-[[4-(aminomethyl)-1-piperidinyl]sulfonyl]-4-chlorobenzonitrile IUPAC Name: 2-[4-(aminomethyl)piperidin-1-yl]sulfonyl-4-chlorobenzonitrile Traditional Name: 2-[4-(aminomethyl)piperidino]sulfonyl-4-chloro-benzonitrile Formula: C13H16ClN3O2S MolecularWeight: 313.80304

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN)S(=O)(=O)C2=C(C=CC(=C2)Cl)C#N

Isomeric SMILES

C1CN(CCC1CN)S(=O)(=O)C2=C(C=CC(=C2)Cl)C#N

InChI

InChI=1S/C13H16ClN3O2S/c14-12-2-1-11(9-16)13(7-12)20(18,19)17-5-3-10(8-15)4-6-17/h1-2,7,10H,3-6,8,15H2