3-[1,3-bis(2-cyanoethyl)-2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-indol-3-yl]propanenitrile

Systemtic Name: 3-[1,3-bis(2-cyanoethyl)-2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-indol-3-yl]propanenitrile Openeye Name: 3-[1,3-bis(2-cyanoethyl)-2-oxo-5-pyrrolidin-1-ylsulfonyl-indolin-3-yl]propanenitrile CAS Name: 3-[1,3-bis(2-cyanoethyl)-2-oxo-5-(1-pyrrolidinylsulfonyl)-3-indolyl]propanenitrile IUPAC Name: 3-[1,3-bis(2-cyanoethyl)-2-oxo-5-pyrrolidin-1-ylsulfonylindol-3-yl]propanenitrile Traditional Name: 3-[1,3-bis(2-cyanoethyl)-2-keto-5-pyrrolidinosulfonyl-indolin-3-yl]propionitrile Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3(CCC#N)CCC#N)CCC#N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3(CCC#N)CCC#N)CCC#N

InChI

InChI=1S/C21H23N5O3S/c22-10-3-8-21(9-4-11-23)18-16-17(30(28,29)25-13-1-2-14-25)6-7-19(18)26(20(21)27)15-5-12-24/h6-7,16H,1-5,8-9,13-15H2