N-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]sulfanylphenyl]ethanamide

Systemtic Name: N-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]sulfanylphenyl]ethanamide Openeye Name: N-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]sulfanylphenyl]acetamide CAS Name: N-[4-[[4-(1-azepanylsulfonyl)-2-nitrophenyl]thio]phenyl]acetamide IUPAC Name: N-[4-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]sulfanylphenyl]acetamide Traditional Name: N-[4-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]thio]phenyl]acetamide Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5S2/c1-15(24)21-16-6-8-17(9-7-16)29-20-11-10-18(14-19(20)23(25)26)30(27,28)22-12-4-2-3-5-13-22/h6-11,14H,2-5,12-13H2,1H3,(H,21,24)