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

Systemtic Name: N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]cyclopentanecarboxamide Openeye Name: N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]cyclopentanecarboxamide CAS Name: N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]cyclopentanecarboxamide IUPAC Name: N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]cyclopentanecarboxamide Traditional Name: N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]cyclopentanecarboxamide Formula: C18H26N3O3S+ MolecularWeight: 364.48234

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[NH+]CC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCCC3

Isomeric SMILES

C1CCC(=[NH+]CC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCCC3

InChI

InChI=1S/C18H25N3O3S/c22-18(14-6-3-4-7-14)20-15-9-11-16(12-10-15)25(23,24)21-17-8-2-1-5-13-19-17/h9-12,14H,1-8,13H2,(H,19,21)(H,20,22)/p+1