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2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-N-(3-ethylphenyl)ethanamide
2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-N-(3-ethylphenyl)ethanamide
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Descriptors Computed from Structure
Canonical SMILES:
CCC1=CC(=CC=C1)NC(=O)CNC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3
Isomeric SMILES
CCC1=CC(=CC=C1)NC(=O)CNC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3
InChI
InChI=1S/C22H29N3O3S/c1-2-18-8-7-9-20(16-18)24-22(26)17-23-19-10-12-21(13-11-19)29(27,28)25-14-5-3-4-6-15-25/h7-13,16,23H,2-6,14-15,17H2,1H3,(H,24,26)
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