3-[1-[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonyl-2-methyl-indolizin-3-yl]propanenitrile

Systemtic Name: 3-[1-[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonyl-2-methyl-indolizin-3-yl]propanenitrile Openeye Name: 3-[1-[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]-2-methyl-indolizin-3-yl]propanenitrile CAS Name: 3-[1-[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]-2-methyl-3-indolizinyl]propanenitrile IUPAC Name: 3-[1-[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]-2-methylindolizin-3-yl]propanenitrile Traditional Name: 3-[1-[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]-2-methyl-indolizin-3-yl]propionitrile Formula: C25H26ClN3O3S MolecularWeight: 484.01024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C=CC=CC2=C1C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4)CCC#N

Isomeric SMILES

CC1=C(N2C=CC=CC2=C1C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4)CCC#N

InChI

InChI=1S/C25H26ClN3O3S/c1-18-21(10-8-13-27)29-16-7-4-9-22(29)24(18)25(30)19-11-12-20(26)23(17-19)33(31,32)28-14-5-2-3-6-15-28/h4,7,9,11-12,16-17H,2-3,5-6,8,10,14-15H2,1H3