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N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(phenylmethylsulfanyl)ethanamide
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(phenylmethylsulfanyl)ethanamide
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Descriptors Computed from Structure
Canonical SMILES:
C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSCC3=CC=CC=C3
Isomeric SMILES
C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSCC3=CC=CC=C3
InChI
InChI=1S/C21H26N2O3S2/c24-21(17-27-16-18-9-4-3-5-10-18)22-19-11-8-12-20(15-19)28(25,26)23-13-6-1-2-7-14-23/h3-5,8-12,15H,1-2,6-7,13-14,16-17H2,(H,22,24)
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