N-[4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]sulfanylphenyl]ethanamide

Systemtic Name: N-[4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]sulfanylphenyl]ethanamide Openeye Name: N-[4-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]sulfanylphenyl]acetamide CAS Name: N-[4-[[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]thio]phenyl]acetamide IUPAC Name: N-[4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]sulfanylphenyl]acetamide Traditional Name: N-[4-[[4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]thio]phenyl]acetamide Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)NC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5S2/c1-14-9-11-22(12-10-14)30(27,28)18-7-8-20(19(13-18)23(25)26)29-17-5-3-16(4-6-17)21-15(2)24/h3-8,13-14H,9-12H2,1-2H3,(H,21,24)