4-[(4-azanylbutanoylamino)methyl]-N-[2-(phenoxysulfinylamino)propyl]cyclohexane-1-carboxamide

Systemtic Name: 4-[(4-azanylbutanoylamino)methyl]-N-[2-(phenoxysulfinylamino)propyl]cyclohexane-1-carboxamide Openeye Name: 4-[(4-aminobutanoylamino)methyl]-N-[2-(phenoxysulfinylamino)propyl]cyclohexanecarboxamide CAS Name: 4-[[(4-amino-1-oxobutyl)amino]methyl]-N-[2-(phenoxysulfinylamino)propyl]-1-cyclohexanecarboxamide IUPAC Name: 4-[(4-aminobutanoylamino)methyl]-N-[2-(phenoxysulfinylamino)propyl]cyclohexane-1-carboxamide Traditional Name: 4-[(4-aminobutanoylamino)methyl]-N-[2-(phenoxysulfinylamino)propyl]cyclohexanecarboxamide Formula: C21H34N4O4S MolecularWeight: 438.58406

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1CCC(CC1)CNC(=O)CCCN)NS(=O)OC2=CC=CC=C2

Isomeric SMILES

CC(CNC(=O)C1CCC(CC1)CNC(=O)CCCN)NS(=O)OC2=CC=CC=C2

InChI

InChI=1S/C21H34N4O4S/c1-16(25-30(28)29-19-6-3-2-4-7-19)14-24-21(27)18-11-9-17(10-12-18)15-23-20(26)8-5-13-22/h2-4,6-7,16-18,25H,5,8-15,22H2,1H3,(H,23,26)(H,24,27)