N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-5-nitro-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-5-nitro-2-pyrrolidino-benzamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)N(C)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C21H22N4O3S/c1-14(20-22-17-7-3-4-8-19(17)29-20)23(2)21(26)16-13-15(25(27)28)9-10-18(16)24-11-5-6-12-24/h3-4,7-10,13-14H,5-6,11-12H2,1-2H3/t14-/m1/s1