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

Systemtic Name: 4-ethoxy-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide Openeye Name: 4-ethoxy-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide CAS Name: 4-ethoxy-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide IUPAC Name: 4-ethoxy-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide Traditional Name: 4-ethoxy-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S/c1-2-28-18-11-7-16(8-12-18)21(25)23-17-9-13-19(14-10-17)29(26,27)24-20-6-4-3-5-15-22-20/h7-14H,2-6,15H2,1H3,(H,22,24)(H,23,25)