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

Systemtic Name: 1,3-diphenyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]pyrazole-4-carboxamide Openeye Name: 1,3-diphenyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]pyrazole-4-carboxamide CAS Name: 1,3-diphenyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]-4-pyrazolecarboxamide IUPAC Name: 1,3-diphenyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]pyrazole-4-carboxamide Traditional Name: 1,3-diphenyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]pyrazole-4-carboxamide Formula: C28H28N5O3S+ MolecularWeight: 514.61862

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[NH+]CC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(=[NH+]CC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H27N5O3S/c34-28(25-20-33(23-12-6-2-7-13-23)31-27(25)21-10-4-1-5-11-21)30-22-15-17-24(18-16-22)37(35,36)32-26-14-8-3-9-19-29-26/h1-2,4-7,10-13,15-18,20H,3,8-9,14,19H2,(H,29,32)(H,30,34)/p+1