2-phenylsulfanyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide

Systemtic Name: 2-phenylsulfanyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide Openeye Name: 2-phenylsulfanyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide CAS Name: 2-(phenylthio)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide IUPAC Name: 2-phenylsulfanyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide Traditional Name: 2-(phenylthio)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propionamide Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NCCCCC2)SC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NCCCCC2)SC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3S2/c1-16(28-18-10-4-2-5-11-18)21(25)23-17-9-8-12-19(15-17)29(26,27)24-20-13-6-3-7-14-22-20/h2,4-5,8-12,15-16H,3,6-7,13-14H2,1H3,(H,22,24)(H,23,25)