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

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-2-(3-thienylmethylsulfanyl)benzamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-(3-thiophenylmethylthio)benzamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-2-(3-thenylthio)benzamide Formula: C21H21N3O5S3 MolecularWeight: 491.60354

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CC=CC=C2SCC3=CSC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CC=CC=C2SCC3=CSC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5S3/c1-32(28,29)16-6-7-18(19(12-16)24(26)27)22-9-10-23-21(25)17-4-2-3-5-20(17)31-14-15-8-11-30-13-15/h2-8,11-13,22H,9-10,14H2,1H3,(H,23,25)