N-[(2S)-2-[4-(2-cyanoethyl)piperazine-1,4-diium-1-yl]-2-phenyl-ethyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(2S)-2-[4-(2-cyanoethyl)piperazine-1,4-diium-1-yl]-2-phenyl-ethyl]-4-methyl-benzenesulfonamide Openeye Name: N-[(2S)-2-[4-(2-cyanoethyl)piperazine-1,4-diium-1-yl]-2-phenyl-ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[(2S)-2-[4-(2-cyanoethyl)-1-piperazine-1,4-diiumyl]-2-phenylethyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(2S)-2-[4-(2-cyanoethyl)piperazine-1,4-diium-1-yl]-2-phenylethyl]-4-methylbenzenesulfonamide Traditional Name: N-[(2S)-2-[4-(2-cyanoethyl)piperazine-1,4-diium-1-yl]-2-phenyl-ethyl]-4-methyl-benzenesulfonamide Formula: C22H30N4O2S+2 MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CC=CC=C2)[NH+]3CC[NH+](CC3)CCC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC[C@H](C2=CC=CC=C2)[NH+]3CC[NH+](CC3)CCC#N

InChI

InChI=1S/C22H28N4O2S/c1-19-8-10-21(11-9-19)29(27,28)24-18-22(20-6-3-2-4-7-20)26-16-14-25(15-17-26)13-5-12-23/h2-4,6-11,22,24H,5,13-18H2,1H3/p+2/t22-/m1/s1