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

Systemtic Name: N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]naphthalene-2-sulfonamide Openeye Name: N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]naphthalene-2-sulfonamide CAS Name: N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-2-naphthalenesulfonamide IUPAC Name: N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]naphthalene-2-sulfonamide Traditional Name: N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]naphthalene-2-sulfonamide Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H23N3O4S2/c26-30(27,21-13-12-17-7-3-4-8-18(17)15-21)24-19-9-6-10-20(16-19)31(28,29)25-22-11-2-1-5-14-23-22/h3-4,6-10,12-13,15-16,24H,1-2,5,11,14H2,(H,23,25)