4-[2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[3-(1-azepanylsulfonyl)anilino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[3-(azepan-1-ylsulfonyl)anilino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C21H24N4O6S2 MolecularWeight: 492.56846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O6S2/c22-21(27)15-8-9-19(18(12-15)25(28)29)32-14-20(26)23-16-6-5-7-17(13-16)33(30,31)24-10-3-1-2-4-11-24/h5-9,12-13H,1-4,10-11,14H2,(H2,22,27)(H,23,26)