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

Systemtic Name: 3,3-diphenyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]propanamide Openeye Name: 3,3-diphenyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]propanamide CAS Name: 3,3-diphenyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]propanamide IUPAC Name: 3,3-diphenyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]propanamide Traditional Name: 3,3-diphenyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]propionamide Formula: C27H30N3O3S+ MolecularWeight: 476.6104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O3S/c31-27(20-25(21-10-4-1-5-11-21)22-12-6-2-7-13-22)29-23-15-17-24(18-16-23)34(32,33)30-26-14-8-3-9-19-28-26/h1-2,4-7,10-13,15-18,25H,3,8-9,14,19-20H2,(H,28,30)(H,29,31)/p+1