3-(azepan-1-ylsulfonyl)-4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[3-(methoxymethyl)benzyl]benzamide Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC=CC(=C1)CNC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COCC1=CC=CC(=C1)CNC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H30N2O5S/c1-29-17-19-9-7-8-18(14-19)16-24-23(26)20-10-11-21(30-2)22(15-20)31(27,28)25-12-5-3-4-6-13-25/h7-11,14-15H,3-6,12-13,16-17H2,1-2H3,(H,24,26)