(2S)-N-cyclohexyl-N-methyl-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-cyclohexyl-N-methyl-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-cyclohexyl-N-methyl-propanamide CAS Name: (2S)-N-cyclohexyl-N-methyl-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-cyclohexyl-N-methylpropanamide Traditional Name: (2S)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-cyclohexyl-N-methyl-propionamide Formula: C21H34N3O3S+ MolecularWeight: 408.57796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1CCCCC1)[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H33N3O3S/c1-18(21(25)22(2)20-11-7-4-8-12-20)23-13-15-24(16-14-23)28(26,27)17-19-9-5-3-6-10-19/h3,5-6,9-10,18,20H,4,7-8,11-17H2,1-2H3/p+1/t18-/m0/s1