5-nitro-N-[2-(phenylmethylsulfanyl)ethyl]-2-pyrrolidin-1-yl-benzamide

Systemtic Name: 5-nitro-N-[2-(phenylmethylsulfanyl)ethyl]-2-pyrrolidin-1-yl-benzamide Openeye Name: N-(2-benzylsulfanylethyl)-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: 5-nitro-N-[2-(phenylmethylthio)ethyl]-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-(2-benzylsulfanylethyl)-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-(benzylthio)ethyl]-5-nitro-2-pyrrolidino-benzamide Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O3S/c24-20(21-10-13-27-15-16-6-2-1-3-7-16)18-14-17(23(25)26)8-9-19(18)22-11-4-5-12-22/h1-3,6-9,14H,4-5,10-13,15H2,(H,21,24)