N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenoxy-propanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenoxy-propanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenoxy-propanamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-phenoxypropanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenoxypropanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenoxy-propionamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2)OC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2)OC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O4S/c1-17(27-19-11-5-4-6-12-19)21(24)22-18-10-9-13-20(16-18)28(25,26)23-14-7-2-3-8-15-23/h4-6,9-13,16-17H,2-3,7-8,14-15H2,1H3,(H,22,24)