3-chloranyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]benzothiophene-2-carboxamide Formula: C21H21ClN3O3S2+ MolecularWeight: 462.99274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[NH+]CC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CCC(=[NH+]CC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H20ClN3O3S2/c22-19-16-6-3-4-7-17(16)29-20(19)21(26)24-14-9-11-15(12-10-14)30(27,28)25-18-8-2-1-5-13-23-18/h3-4,6-7,9-12H,1-2,5,8,13H2,(H,23,25)(H,24,26)/p+1