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N-(6-nitro-1,3-benzothiazol-2-yl)-2-(phenylmethyl)sulfonyl-ethanamide
N-(6-nitro-1,3-benzothiazol-2-yl)-2-(phenylmethyl)sulfonyl-ethanamide
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Descriptors Computed from Structure
Canonical SMILES:
C1=CC=C(C=C1)CS(=O)(=O)CC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]
Isomeric SMILES
C1=CC=C(C=C1)CS(=O)(=O)CC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C16H13N3O5S2/c20-15(10-26(23,24)9-11-4-2-1-3-5-11)18-16-17-13-7-6-12(19(21)22)8-14(13)25-16/h1-8H,9-10H2,(H,17,18,20)
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- 3-[[3,4-bis(fluoranyl)phenyl]amino]-1-phenyl-but-3-en-1-one
