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

Systemtic Name: (2S)-2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-(ethylcarbamoyl)propanamide Openeye Name: (2S)-2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-(ethylcarbamoyl)propanamide CAS Name: (2S)-2-[4-(1-azepanylsulfonyl)-1-piperazin-1-iumyl]-N-(ethylcarbamoyl)propanamide IUPAC Name: (2S)-2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-(ethylcarbamoyl)propanamide Traditional Name: (2S)-2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-(ethylcarbamoyl)propionamide Formula: C16H32N5O4S+ MolecularWeight: 390.52138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H31N5O4S/c1-3-17-16(23)18-15(22)14(2)19-10-12-21(13-11-19)26(24,25)20-8-6-4-5-7-9-20/h14H,3-13H2,1-2H3,(H2,17,18,22,23)/p+1/t14-/m0/s1