N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-3-(thiophen-2-ylmethoxy)benzamide

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-3-(thiophen-2-ylmethoxy)benzamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-3-(2-thienylmethoxy)benzamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-(thiophen-2-ylmethoxy)benzamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-(thiophen-2-ylmethoxy)benzamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-3-(2-thenyloxy)benzamide Formula: C21H21N3O6S2 MolecularWeight: 475.53794

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CC(=CC=C2)OCC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CC(=CC=C2)OCC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O6S2/c1-32(28,29)18-7-8-19(20(13-18)24(26)27)22-9-10-23-21(25)15-4-2-5-16(12-15)30-14-17-6-3-11-31-17/h2-8,11-13,22H,9-10,14H2,1H3,(H,23,25)