3-nitro-4-pyrrolidin-1-yl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]benzamide

Systemtic Name: 3-nitro-4-pyrrolidin-1-yl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]benzamide Openeye Name: N-[(1R)-1-methyl-2-(2-thienyl)ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: 3-nitro-4-(1-pyrrolidinyl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]benzamide IUPAC Name: 3-nitro-4-pyrrolidin-1-yl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]benzamide Traditional Name: N-[(1R)-1-methyl-2-(2-thienyl)ethyl]-3-nitro-4-pyrrolidino-benzamide Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CS1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](CC1=CC=CS1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O3S/c1-13(11-15-5-4-10-25-15)19-18(22)14-6-7-16(17(12-14)21(23)24)20-8-2-3-9-20/h4-7,10,12-13H,2-3,8-9,11H2,1H3,(H,19,22)/t13-/m1/s1