(2S)-N-ethyl-N-(phenylmethyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-ethyl-N-(phenylmethyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-benzyl-N-ethyl-propanamide CAS Name: (2S)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-ethyl-N-(phenylmethyl)propanamide IUPAC Name: (2S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-benzyl-N-ethylpropanamide Traditional Name: (2S)-N-benzyl-2-(4-besylpiperazin-1-ium-1-yl)-N-ethyl-propionamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)C(C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)[C@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3S/c1-3-23(18-20-10-6-4-7-11-20)22(26)19(2)24-14-16-25(17-15-24)29(27,28)21-12-8-5-9-13-21/h4-13,19H,3,14-18H2,1-2H3/p+1/t19-/m0/s1