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

Systemtic Name: 4-butoxy-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide Openeye Name: 4-butoxy-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide CAS Name: 4-butoxy-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide IUPAC Name: 4-butoxy-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide Traditional Name: 4-butoxy-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3

InChI

InChI=1S/C23H29N3O4S/c1-2-3-16-30-20-13-11-18(12-14-20)23(27)25-19-8-7-9-21(17-19)31(28,29)26-22-10-5-4-6-15-24-22/h7-9,11-14,17H,2-6,10,15-16H2,1H3,(H,24,26)(H,25,27)