(3R)-1-[(2S)-2-acetamido-3-(3-nitrophenyl)sulfanyl-propanoyl]piperidine-3-carboxamide

Systemtic Name: (3R)-1-[(2S)-2-acetamido-3-(3-nitrophenyl)sulfanyl-propanoyl]piperidine-3-carboxamide Openeye Name: (3R)-1-[(2S)-2-acetamido-3-(3-nitrophenyl)sulfanyl-propanoyl]piperidine-3-carboxamide CAS Name: (3R)-1-[(2S)-2-acetamido-3-[(3-nitrophenyl)thio]-1-oxopropyl]-3-piperidinecarboxamide IUPAC Name: (3R)-1-[(2S)-2-acetamido-3-(3-nitrophenyl)sulfanylpropanoyl]piperidine-3-carboxamide Traditional Name: (3R)-1-[(2S)-2-acetamido-3-[(3-nitrophenyl)thio]propanoyl]nipecotamide Formula: C17H22N4O5S MolecularWeight: 394.44538

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=CC(=C1)[N+](=O)[O-])C(=O)N2CCCC(C2)C(=O)N

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=CC(=C1)[N+](=O)[O-])C(=O)N2CCC[C@H](C2)C(=O)N

InChI

InChI=1S/C17H22N4O5S/c1-11(22)19-15(10-27-14-6-2-5-13(8-14)21(25)26)17(24)20-7-3-4-12(9-20)16(18)23/h2,5-6,8,12,15H,3-4,7,9-10H2,1H3,(H2,18,23)(H,19,22)/t12-,15-/m1/s1