N-(2-cyanoethyl)-3-[4-(phenylmethyl)sulfonylpiperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-(2-cyanoethyl)-3-[4-(phenylmethyl)sulfonylpiperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: 3-(4-benzylsulfonylpiperazine-1-carbonyl)-N-(2-cyanoethyl)benzenesulfonamide CAS Name: N-(2-cyanoethyl)-3-[oxo-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: 3-(4-benzylsulfonylpiperazine-1-carbonyl)-N-(2-cyanoethyl)benzenesulfonamide Traditional Name: 3-(4-benzylsulfonylpiperazine-1-carbonyl)-N-(2-cyanoethyl)benzenesulfonamide Formula: C21H24N4O5S2 MolecularWeight: 476.56906

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC(=CC=C2)S(=O)(=O)NCCC#N)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=CC=C2)S(=O)(=O)NCCC#N)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O5S2/c22-10-5-11-23-32(29,30)20-9-4-8-19(16-20)21(26)24-12-14-25(15-13-24)31(27,28)17-18-6-2-1-3-7-18/h1-4,6-9,16,23H,5,11-15,17H2