(2R)-N-(2-cyanoethyl)-N-phenyl-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(2-cyanoethyl)-N-phenyl-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-phenyl-propanamide CAS Name: (2R)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-(2-cyanoethyl)-N-phenylpropanamide IUPAC Name: (2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-phenylpropanamide Traditional Name: (2R)-2-(4-besylpiperazin-1-ium-1-yl)-N-(2-cyanoethyl)-N-phenyl-propionamide Formula: C22H27N4O3S+ MolecularWeight: 427.53978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)N(CCC#N)C1=CC=CC=C1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H26N4O3S/c1-19(22(27)26(14-8-13-23)20-9-4-2-5-10-20)24-15-17-25(18-16-24)30(28,29)21-11-6-3-7-12-21/h2-7,9-12,19H,8,14-18H2,1H3/p+1/t19-/m1/s1