N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-9H-xanthene-9-carboxamide Openeye Name: N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-9H-xanthene-9-carboxamide CAS Name: N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-9H-xanthene-9-carboxamide IUPAC Name: N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-9H-xanthene-9-carboxamide Traditional Name: N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-9H-xanthene-9-carboxamide Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

C1CCC(=NCC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C26H25N3O4S/c30-26(25-20-8-3-5-10-22(20)33-23-11-6-4-9-21(23)25)28-18-13-15-19(16-14-18)34(31,32)29-24-12-2-1-7-17-27-24/h3-6,8-11,13-16,25H,1-2,7,12,17H2,(H,27,29)(H,28,30)