(2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-3-oxidanylidene-propanenitrile

Systemtic Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-3-oxidanylidene-propanenitrile Openeye Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]phenyl]-3-oxo-propanenitrile CAS Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]phenyl]-3-oxopropanenitrile IUPAC Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-3-oxopropanenitrile Traditional Name: (2E)-3-keto-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-[4-[(3S)-3-methylpiperidino]sulfonylphenyl]propionitrile Formula: C23H24N4O3S MolecularWeight: 436.52666

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C(=C3NC4=CC=CC=C4N3C)C#N

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)/C(=C/3\NC4=CC=CC=C4N3C)/C#N

InChI

InChI=1S/C23H24N4O3S/c1-16-6-5-13-27(15-16)31(29,30)18-11-9-17(10-12-18)22(28)19(14-24)23-25-20-7-3-4-8-21(20)26(23)2/h3-4,7-12,16,25H,5-6,13,15H2,1-2H3/b23-19+/t16-/m0/s1