2-[2-azanyl-1-(2,2-diphenylethyl)-4,5-dimethyl-pyrrol-3-yl]sulfonylethanenitrile

Systemtic Name: 2-[2-azanyl-1-(2,2-diphenylethyl)-4,5-dimethyl-pyrrol-3-yl]sulfonylethanenitrile Openeye Name: 2-[2-amino-1-(2,2-diphenylethyl)-4,5-dimethyl-pyrrol-3-yl]sulfonylacetonitrile CAS Name: 2-[[2-amino-1-(2,2-diphenylethyl)-4,5-dimethyl-3-pyrrolyl]sulfonyl]acetonitrile IUPAC Name: 2-[2-amino-1-(2,2-diphenylethyl)-4,5-dimethylpyrrol-3-yl]sulfonylacetonitrile Traditional Name: 2-[2-amino-1-(2,2-diphenylethyl)-4,5-dimethyl-pyrrol-3-yl]sulfonylacetonitrile Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1S(=O)(=O)CC#N)N)CC(C2=CC=CC=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C(=C1S(=O)(=O)CC#N)N)CC(C2=CC=CC=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C22H23N3O2S/c1-16-17(2)25(22(24)21(16)28(26,27)14-13-23)15-20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20H,14-15,24H2,1-2H3