4-(2-oxidanylideneazepan-3-yl)sulfonylbenzenecarbonitrile

Systemtic Name: 4-(2-oxidanylideneazepan-3-yl)sulfonylbenzenecarbonitrile Openeye Name: 4-(2-oxoazepan-3-yl)sulfonylbenzonitrile CAS Name: 4-[(2-oxo-3-azepanyl)sulfonyl]benzonitrile IUPAC Name: 4-(2-oxoazepan-3-yl)sulfonylbenzonitrile Traditional Name: 4-(2-ketoazepan-3-yl)sulfonylbenzonitrile Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)S(=O)(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

C1CCNC(=O)C(C1)S(=O)(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H14N2O3S/c14-9-10-4-6-11(7-5-10)19(17,18)12-3-1-2-8-15-13(12)16/h4-7,12H,1-3,8H2,(H,15,16)