(2R)-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: (2R)-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: (2R)-N-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]phenyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: (2R)-N-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]phenyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: (2R)-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: (2R)-N-[4-[(3S)-3-methylpiperidino]sulfonylphenyl]-2-[(4-nitrophenyl)thio]propionamide Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C(C)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)[C@@H](C)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5S2/c1-15-4-3-13-23(14-15)31(28,29)20-11-5-17(6-12-20)22-21(25)16(2)30-19-9-7-18(8-10-19)24(26)27/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,22,25)/t15-,16+/m0/s1