(2S)-N-aminocarbonyl-2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-aminocarbonyl-2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-carbamoyl-propanamide CAS Name: (2S)-2-[4-(1-azepanylsulfonyl)-1-piperazin-1-iumyl]-N-carbamoylpropanamide IUPAC Name: (2S)-2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-carbamoylpropanamide Traditional Name: (2S)-2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-carbamoyl-propionamide Formula: C14H28N5O4S+ MolecularWeight: 362.46822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)[NH+]1CCN(CC1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

C[C@@H](C(=O)NC(=O)N)[NH+]1CCN(CC1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C14H27N5O4S/c1-12(13(20)16-14(15)21)17-8-10-19(11-9-17)24(22,23)18-6-4-2-3-5-7-18/h12H,2-11H2,1H3,(H3,15,16,20,21)/p+1/t12-/m0/s1