N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]tetralin-6-carboxamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide Traditional Name: N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]tetralin-6-carboxamide Formula: C21H24N3O3S+ MolecularWeight: 398.49856

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=[NH+]CCC4

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=[NH+]CCC4

InChI

InChI=1S/C21H23N3O3S/c25-21(17-11-10-15-5-1-2-6-16(15)13-17)23-18-7-3-8-19(14-18)28(26,27)24-20-9-4-12-22-20/h3,7-8,10-11,13-14H,1-2,4-6,9,12H2,(H,22,24)(H,23,25)/p+1