N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-yl-ethyl]-4-nitro-3-oxidanyl-benzamide

Systemtic Name: N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-yl-ethyl]-4-nitro-3-oxidanyl-benzamide Openeye Name: 3-hydroxy-N-[(2R)-2-(4-methyl-1-piperidyl)-2-(2-thienyl)ethyl]-4-nitro-benzamide CAS Name: 3-hydroxy-N-[(2R)-2-(4-methyl-1-piperidinyl)-2-thiophen-2-ylethyl]-4-nitrobenzamide IUPAC Name: 3-hydroxy-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-4-nitrobenzamide Traditional Name: 3-hydroxy-N-[(2R)-2-(4-methylpiperidino)-2-(2-thienyl)ethyl]-4-nitro-benzamide Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(CNC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])O)C3=CC=CS3

Isomeric SMILES

CC1CCN(CC1)[C@H](CNC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])O)C3=CC=CS3

InChI

InChI=1S/C19H23N3O4S/c1-13-6-8-21(9-7-13)16(18-3-2-10-27-18)12-20-19(24)14-4-5-15(22(25)26)17(23)11-14/h2-5,10-11,13,16,23H,6-9,12H2,1H3,(H,20,24)/t16-/m1/s1