(2S)-N-cyclopropyl-2-[4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-cyclopropyl-2-[4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-cyclopropyl-2-[4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-cyclopropyl-2-[4-[2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-cyclopropyl-2-[4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-cyclopropyl-2-[4-[2-keto-2-(4-mesylpiperazino)ethyl]piperazin-1-ium-1-yl]propionamide Formula: C17H32N5O4S+ MolecularWeight: 402.53208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)[NH+]2CCN(CC2)CC(=O)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

C[C@@H](C(=O)NC1CC1)[NH+]2CCN(CC2)CC(=O)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C17H31N5O4S/c1-14(17(24)18-15-3-4-15)20-7-5-19(6-8-20)13-16(23)21-9-11-22(12-10-21)27(2,25)26/h14-15H,3-13H2,1-2H3,(H,18,24)/p+1/t14-/m0/s1