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

Systemtic Name: 4-(1,3-dithiolan-2-yl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]benzamide Openeye Name: 4-(1,3-dithiolan-2-yl)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]benzamide CAS Name: 4-(1,3-dithiolan-2-yl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]benzamide IUPAC Name: 4-(1,3-dithiolan-2-yl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]benzamide Traditional Name: 4-(1,3-dithiolan-2-yl)-N-[2-(4-mesyl-2-nitro-anilino)ethyl]benzamide Formula: C19H21N3O5S3 MolecularWeight: 467.58214

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CC=C(C=C2)C3SCCS3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CC=C(C=C2)C3SCCS3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S3/c1-30(26,27)15-6-7-16(17(12-15)22(24)25)20-8-9-21-18(23)13-2-4-14(5-3-13)19-28-10-11-29-19/h2-7,12,19-20H,8-11H2,1H3,(H,21,23)