3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(cyclohexen-1-yl)ethyl]propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(cyclohexen-1-yl)ethyl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(cyclohexen-1-yl)ethyl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[2-(1-cyclohexenyl)ethyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(cyclohexen-1-yl)ethyl]propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(cyclohexen-1-yl)ethyl]propionamide Formula: C23H34N2O3S MolecularWeight: 418.59266

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCCC3=CCCCC3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCCC3=CCCCC3

InChI

InChI=1S/C23H34N2O3S/c26-23(24-17-16-20-8-4-3-5-9-20)15-12-21-10-13-22(14-11-21)29(27,28)25-18-6-1-2-7-19-25/h8,10-11,13-14H,1-7,9,12,15-19H2,(H,24,26)