N-[3-(azepan-1-ylsulfonyl)phenyl]-3-phenylsulfanyl-propanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-phenylsulfanyl-propanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-phenylsulfanyl-propanamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-3-(phenylthio)propanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-phenylsulfanylpropanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(phenylthio)propionamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3S2/c24-21(13-16-27-19-10-4-3-5-11-19)22-18-9-8-12-20(17-18)28(25,26)23-14-6-1-2-7-15-23/h3-5,8-12,17H,1-2,6-7,13-16H2,(H,22,24)