N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]-N-methylsulfonyl-methanesulfonamide

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]-N-methylsulfonyl-methanesulfonamide Openeye Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-N-methylsulfonyl-methanesulfonamide CAS Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)-2-pyrrolyl]-N-methylsulfonylmethanesulfonamide IUPAC Name: N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-N-methylsulfonylmethanesulfonamide Traditional Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-N-mesyl-methanesulfonamide Formula: C16H19N3O4S2 MolecularWeight: 381.46976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)N(S(=O)(=O)C)S(=O)(=O)C)CC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)N(S(=O)(=O)C)S(=O)(=O)C)CC2=CC=CC=C2)C

InChI

InChI=1S/C16H19N3O4S2/c1-12-13(2)18(11-14-8-6-5-7-9-14)16(15(12)10-17)19(24(3,20)21)25(4,22)23/h5-9H,11H2,1-4H3