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N-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenylsulfanyl-propanamide

N-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenylsulfanyl-propanamide

Systemtic Name:N-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenylsulfanyl-propanamide
Openeye Name:N-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenylsulfanyl-propanamide
CAS Name:N-[4-(1-azepanylsulfonyl)phenyl]-2-(phenylthio)propanamide
IUPAC Name:N-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenylsulfanylpropanamide
Traditional Name:N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(phenylthio)propionamide
Formula: C21H26N2O3S2
MolecularWeight: 418.57274
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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)SC3=CC=CC=C3


Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)SC3=CC=CC=C3


InChI

InChI=1S/C21H26N2O3S2/c1-17(27-19-9-5-4-6-10-19)21(24)22-18-11-13-20(14-12-18)28(25,26)23-15-7-2-3-8-16-23/h4-6,9-14,17H,2-3,7-8,15-16H2,1H3,(H,22,24)


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