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

Systemtic Name: N-[(2R)-2-(dimethylamino)-2-thiophen-2-yl-ethyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(2R)-2-(dimethylamino)-2-(2-thienyl)ethyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(2R)-2-(dimethylamino)-2-(2-thienyl)ethyl]-3-nitro-4-piperidino-benzamide Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1=CC(=C(C=C1)N2CCCCC2)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

CN(C)[C@H](CNC(=O)C1=CC(=C(C=C1)N2CCCCC2)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C20H26N4O3S/c1-22(2)18(19-7-6-12-28-19)14-21-20(25)15-8-9-16(17(13-15)24(26)27)23-10-4-3-5-11-23/h6-9,12-13,18H,3-5,10-11,14H2,1-2H3,(H,21,25)/t18-/m1/s1