N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-phenylsulfanyl-propanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-phenylsulfanyl-propanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-phenylsulfanyl-propanamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-(phenylthio)propanamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-phenylsulfanylpropanamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(phenylthio)propionamide Formula: C22H28N2O4S2 MolecularWeight: 448.59872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S2/c1-17(29-18-10-6-5-7-11-18)22(25)23-20-16-19(12-13-21(20)28-2)30(26,27)24-14-8-3-4-9-15-24/h5-7,10-13,16-17H,3-4,8-9,14-15H2,1-2H3,(H,23,25)