N-[3-(azepan-1-ylsulfonyl)phenyl]-2-ethoxy-benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-ethoxy-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-ethoxy-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-ethoxybenzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-ethoxybenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-ethoxy-benzamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H26N2O4S/c1-2-27-20-13-6-5-12-19(20)21(24)22-17-10-9-11-18(16-17)28(25,26)23-14-7-3-4-8-15-23/h5-6,9-13,16H,2-4,7-8,14-15H2,1H3,(H,22,24)