3-acetamido-N-[4-(azepan-1-ylsulfonyl)phenyl]propanamide

Systemtic Name: 3-acetamido-N-[4-(azepan-1-ylsulfonyl)phenyl]propanamide Openeye Name: 3-acetamido-N-[4-(azepan-1-ylsulfonyl)phenyl]propanamide CAS Name: 3-acetamido-N-[4-(1-azepanylsulfonyl)phenyl]propanamide IUPAC Name: 3-acetamido-N-[4-(azepan-1-ylsulfonyl)phenyl]propanamide Traditional Name: 3-acetamido-N-[4-(azepan-1-ylsulfonyl)phenyl]propionamide Formula: C17H25N3O4S MolecularWeight: 367.4631

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(=O)NCCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C17H25N3O4S/c1-14(21)18-11-10-17(22)19-15-6-8-16(9-7-15)25(23,24)20-12-4-2-3-5-13-20/h6-9H,2-5,10-13H2,1H3,(H,18,21)(H,19,22)