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

Systemtic Name: N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]naphthalene-2-sulfonamide Openeye Name: N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]naphthalene-2-sulfonamide CAS Name: N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-2-naphthalenesulfonamide IUPAC Name: N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]naphthalene-2-sulfonamide Traditional Name: N-[4-(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=C(C=C2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

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

InChI

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