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2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-N-(3-methylphenyl)ethanamide
2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-N-(3-methylphenyl)ethanamide
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Descriptors Computed from Structure
Canonical SMILES:
CC1=CC(=CC=C1)NC(=O)CNC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3
Isomeric SMILES
CC1=CC(=CC=C1)NC(=O)CNC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3
InChI
InChI=1S/C21H27N3O3S/c1-17-8-6-10-19(14-17)23-21(25)16-22-18-9-7-11-20(15-18)28(26,27)24-12-4-2-3-5-13-24/h6-11,14-15,22H,2-5,12-13,16H2,1H3,(H,23,25)
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