4-ethoxy-3-methoxy-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide

Systemtic Name: 4-ethoxy-3-methoxy-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide Openeye Name: 4-ethoxy-3-methoxy-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide CAS Name: 4-ethoxy-3-methoxy-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide IUPAC Name: 4-ethoxy-3-methoxy-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide Traditional Name: 4-ethoxy-3-methoxy-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3)OC

InChI

InChI=1S/C22H27N3O5S/c1-3-30-19-12-11-16(14-20(19)29-2)22(26)24-17-8-7-9-18(15-17)31(27,28)25-21-10-5-4-6-13-23-21/h7-9,11-12,14-15H,3-6,10,13H2,1-2H3,(H,23,25)(H,24,26)