3-[(3,4-dimethylphenyl)sulfonylamino]-N-[3-(2-oxidanylideneazepan-1-yl)propyl]propanamide

Systemtic Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[3-(2-oxidanylideneazepan-1-yl)propyl]propanamide Openeye Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[3-(2-oxoazepan-1-yl)propyl]propanamide CAS Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[3-(2-oxo-1-azepanyl)propyl]propanamide IUPAC Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[3-(2-oxoazepan-1-yl)propyl]propanamide Traditional Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[3-(2-ketoazepan-1-yl)propyl]propionamide Formula: C20H31N3O4S MolecularWeight: 409.54284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NCCCN2CCCCCC2=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NCCCN2CCCCCC2=O)C

InChI

InChI=1S/C20H31N3O4S/c1-16-8-9-18(15-17(16)2)28(26,27)22-12-10-19(24)21-11-6-14-23-13-5-3-4-7-20(23)25/h8-9,15,22H,3-7,10-14H2,1-2H3,(H,21,24)