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

Systemtic Name: 3-(1H-indol-3-yl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]propanamide Openeye Name: 3-(1H-indol-3-yl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]propanamide CAS Name: 3-(1H-indol-3-yl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]propanamide IUPAC Name: 3-(1H-indol-3-yl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]propanamide Traditional Name: 3-(1H-indol-3-yl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]propionamide Formula: C23H27N4O3S+ MolecularWeight: 439.55048

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[NH+]CC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC3=CNC4=CC=CC=C43

Isomeric SMILES

C1CCC(=[NH+]CC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C23H26N4O3S/c28-23(14-9-17-16-25-21-7-4-3-6-20(17)21)26-18-10-12-19(13-11-18)31(29,30)27-22-8-2-1-5-15-24-22/h3-4,6-7,10-13,16,25H,1-2,5,8-9,14-15H2,(H,24,27)(H,26,28)/p+1