(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-N-piperonyl-propionamide Formula: C21H25N4O7S+ MolecularWeight: 477.5108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC2=C(C=C1)OCO2)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O7S/c1-15(21(26)22-13-16-6-7-18-19(12-16)32-14-31-18)23-8-10-24(11-9-23)33(29,30)20-5-3-2-4-17(20)25(27)28/h2-7,12,15H,8-11,13-14H2,1H3,(H,22,26)/p+1/t15-/m0/s1