(2S)-2-(4-nitrophenyl)sulfanyl-1-piperazin-1-yl-propan-1-one

Systemtic Name: (2S)-2-(4-nitrophenyl)sulfanyl-1-piperazin-1-yl-propan-1-one Openeye Name: (2S)-2-(4-nitrophenyl)sulfanyl-1-piperazin-1-yl-propan-1-one CAS Name: (2S)-2-[(4-nitrophenyl)thio]-1-(1-piperazinyl)-1-propanone IUPAC Name: (2S)-2-(4-nitrophenyl)sulfanyl-1-piperazin-1-ylpropan-1-one Traditional Name: (2S)-2-[(4-nitrophenyl)thio]-1-piperazino-propan-1-one Formula: C13H17N3O3S MolecularWeight: 295.35738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCNCC1)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)N1CCNCC1)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O3S/c1-10(13(17)15-8-6-14-7-9-15)20-12-4-2-11(3-5-12)16(18)19/h2-5,10,14H,6-9H2,1H3/t10-/m0/s1