2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(4,5-dimethyl-2-nitro-phenyl)ethanamide

Systemtic Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(4,5-dimethyl-2-nitro-phenyl)ethanamide Openeye Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(4,5-dimethyl-2-nitro-phenyl)acetamide CAS Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-N-(4,5-dimethyl-2-nitrophenyl)acetamide IUPAC Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(4,5-dimethyl-2-nitrophenyl)acetamide Traditional Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-N-(4,5-dimethyl-2-nitro-phenyl)acetamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CN2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CN2CCC[C@@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N4O3S/c1-13-10-16(18(25(27)28)11-14(13)2)22-20(26)12-24-9-5-7-17(24)21-23-15-6-3-4-8-19(15)29-21/h3-4,6,8,10-11,17H,5,7,9,12H2,1-2H3,(H,22,26)/t17-/m1/s1