1-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethanoyl]-2,3-dihydroindole-5-sulfonamide

Systemtic Name: 1-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethanoyl]-2,3-dihydroindole-5-sulfonamide Openeye Name: 1-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetyl]indoline-5-sulfonamide CAS Name: 1-[2-[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]-1-oxoethyl]-2,3-dihydroindole-5-sulfonamide IUPAC Name: 1-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide Traditional Name: 1-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetyl]indoline-5-sulfonamide Formula: C23H30N3O4S+ MolecularWeight: 444.567

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCC[NH+]2CC(=O)N3CCC4=C3C=CC(=C4)S(=O)(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCC[NH+]2CC(=O)N3CCC4=C3C=CC(=C4)S(=O)(=O)N

InChI

InChI=1S/C23H29N3O4S/c1-30-19-8-6-17(7-9-19)21-5-3-2-4-13-25(21)16-23(27)26-14-12-18-15-20(31(24,28)29)10-11-22(18)26/h6-11,15,21H,2-5,12-14,16H2,1H3,(H2,24,28,29)/p+1/t21-/m1/s1