3-[(4-methanoylphenyl)-[2-(phenylsulfonyl)ethyl]amino]propanenitrile

Systemtic Name: 3-[(4-methanoylphenyl)-[2-(phenylsulfonyl)ethyl]amino]propanenitrile Openeye Name: 3-[N-[2-(benzenesulfonyl)ethyl]-4-formyl-anilino]propanenitrile CAS Name: 3-[N-[2-(benzenesulfonyl)ethyl]-4-formylanilino]propanenitrile IUPAC Name: 3-[N-[2-(benzenesulfonyl)ethyl]-4-formylanilino]propanenitrile Traditional Name: 3-[N-(2-besylethyl)-4-formyl-anilino]propionitrile Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CCN(CCC#N)C2=CC=C(C=C2)C=O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCN(CCC#N)C2=CC=C(C=C2)C=O

InChI

InChI=1S/C18H18N2O3S/c19-11-4-12-20(17-9-7-16(15-21)8-10-17)13-14-24(22,23)18-5-2-1-3-6-18/h1-3,5-10,15H,4,12-14H2