5-(1,2-dithiolan-3-yl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]pentanamide

Systemtic Name: 5-(1,2-dithiolan-3-yl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]pentanamide Openeye Name: 5-(dithiolan-3-yl)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]pentanamide CAS Name: 5-(3-dithiolanyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]pentanamide IUPAC Name: 5-(dithiolan-3-yl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]pentanamide Traditional Name: 5-(dithiolan-3-yl)-N-[2-(4-mesyl-2-nitro-anilino)ethyl]valeramide Formula: C17H25N3O5S3 MolecularWeight: 447.5925

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CCCCC2CCSS2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CCCCC2CCSS2)[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O5S3/c1-28(24,25)14-6-7-15(16(12-14)20(22)23)18-9-10-19-17(21)5-3-2-4-13-8-11-26-27-13/h6-7,12-13,18H,2-5,8-11H2,1H3,(H,19,21)