3-[2-cyanoethyl-[4-[[8-(2,5-dimethylphenyl)sulfonyl-3,8-diazaspiro[4.5]decan-3-yl]methyl]phenyl]amino]propanenitrile

Systemtic Name: 3-[2-cyanoethyl-[4-[[8-(2,5-dimethylphenyl)sulfonyl-3,8-diazaspiro[4.5]decan-3-yl]methyl]phenyl]amino]propanenitrile Openeye Name: 3-[N-(2-cyanoethyl)-4-[[8-(2,5-dimethylphenyl)sulfonyl-3,8-diazaspiro[4.5]decan-3-yl]methyl]anilino]propanenitrile CAS Name: 3-[N-(2-cyanoethyl)-4-[[8-(2,5-dimethylphenyl)sulfonyl-3,8-diazaspiro[4.5]decan-3-yl]methyl]anilino]propanenitrile IUPAC Name: 3-[N-(2-cyanoethyl)-4-[[8-(2,5-dimethylphenyl)sulfonyl-3,8-diazaspiro[4.5]decan-3-yl]methyl]anilino]propanenitrile Traditional Name: 3-[N-(2-cyanoethyl)-4-[[8-(2,5-dimethylphenyl)sulfonyl-3,8-diazaspiro[4.5]decan-3-yl]methyl]anilino]propionitrile Formula: C29H37N5O2S MolecularWeight: 519.70138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCC3(CC2)CCN(C3)CC4=CC=C(C=C4)N(CCC#N)CCC#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCC3(CC2)CCN(C3)CC4=CC=C(C=C4)N(CCC#N)CCC#N

InChI

InChI=1S/C29H37N5O2S/c1-24-5-6-25(2)28(21-24)37(35,36)34-19-12-29(13-20-34)11-18-32(23-29)22-26-7-9-27(10-8-26)33(16-3-14-30)17-4-15-31/h5-10,21H,3-4,11-13,16-20,22-23H2,1-2H3